Noncanonical Amino Acids

Unnatural amino acid library

A source-linked library integrating HighPlay2, SwissSidechain, RCSB CCD, and PubChem reference records.

272 unique database-mapped entries 60 HighPlay2 / 172 SwissSidechain / 40 PubChem

Scope

TPDB 3D structure viewers are intended for standard-residue peptide models. This library records individual noncanonical amino acid building blocks as 2D molecules rather than predicting modified peptide 3D structures.

Data provenance

The 60-residue selection and study labels come from HighPlay2 Supplementary Table S1 and Supplementary Data 1. CCD identity, formula, formula weight, parent mapping, and 2D depictions are linked to the RCSB PDB Chemical Component Dictionary. The 172 SwissSidechain-derived entries use names, family assignments, SMILES, molecular weights, MOL2 atom records, and 2D depictions from the SIB SwissSidechain database, with individual source links. The 40 PubChem reference entries use PubChem identity records, formulae, formula weights, source links, and 2D depictions. Commercial availability is reported by the source resources and is not independently verified by TPDB.

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Noncanonical amino acid classes

Showing all 272 entries

D-amino acids

19 entries
2D structure of D-Alanine
D-Ala

D-Alanine

D-丙氨酸

The D stereoisomer of alanine; D-residue substitution is used to reduce protease susceptibility.

Formula
C3H7NO2
Formula weight
89.09 Da
Parent residue
Not provided by PubChem
2D structure of D-Arginine
D-Arg

D-Arginine

D-精氨酸

A guanidinium-bearing arginine residue with D stereochemistry for cationic peptide design.

Formula
C6H14N4O2
Formula weight
174.20 Da
Parent residue
Not provided by PubChem
2D structure of D-Lysine
D-Lys

D-Lysine

D-赖氨酸

A lysine residue with D stereochemistry that retains a basic, positively charged side chain.

Formula
C6H14N2O2
Formula weight
146.19 Da
Parent residue
Not provided by PubChem
2D structure of D-Phenylalanine
D-Phe

D-Phenylalanine

D-苯丙氨酸

An aromatic phenylalanine residue with D stereochemistry, used in stability-oriented peptide design.

Formula
C9H11NO2
Formula weight
165.19 Da
Parent residue
Not provided by PubChem
2D structure of D-Tryptophan
D-Trp

D-Tryptophan

D-色氨酸

An indole-bearing tryptophan residue with D stereochemistry for membrane-interacting peptide design.

Formula
C11H12N2O2
Formula weight
204.22 Da
Parent residue
Not provided by PubChem
2D structure of D-Asparagine
D-Asn

D-Asparagine

D-天冬酰胺

The D stereoisomer of asparagine, retaining its neutral carboxamide side chain.

Formula
C4H8N2O3
Formula weight
132.12 Da
Parent residue
Not provided by PubChem
2D structure of D-Aspartic acid
D-Asp

D-Aspartic acid

D-天冬氨酸

The D stereoisomer of aspartic acid, retaining an acidic side-chain carboxyl group.

Formula
C4H7NO4
Formula weight
133.10 Da
Parent residue
Not provided by PubChem
2D structure of D-Cysteine
D-Cys

D-Cysteine

D-半胱氨酸

The D stereoisomer of cysteine, retaining a reactive thiol side chain.

Formula
C3H7NO2S
Formula weight
121.16 Da
Parent residue
Not provided by PubChem
2D structure of D-Glutamine
D-Gln

D-Glutamine

D-谷氨酰胺

The D stereoisomer of glutamine, retaining its neutral side-chain carboxamide.

Formula
C5H10N2O3
Formula weight
146.14 Da
Parent residue
Not provided by PubChem
2D structure of D-Glutamic acid
D-Glu

D-Glutamic acid

D-谷氨酸

The D stereoisomer of glutamic acid, retaining an acidic side-chain carboxyl group.

Formula
C5H9NO4
Formula weight
147.13 Da
Parent residue
Not provided by PubChem
2D structure of D-Histidine
D-His

D-Histidine

D-组氨酸

The D stereoisomer of histidine, retaining an imidazole side chain.

Formula
C6H9N3O2
Formula weight
155.15 Da
Parent residue
Not provided by PubChem
2D structure of D-Isoleucine
D-Ile

D-Isoleucine

D-异亮氨酸

The D stereoisomer of isoleucine with a branched hydrophobic side chain.

Formula
C6H13NO2
Formula weight
131.17 Da
Parent residue
Not provided by PubChem
2D structure of D-Leucine
D-Leu

D-Leucine

D-亮氨酸

The D stereoisomer of leucine with a branched hydrophobic side chain.

Formula
C6H13NO2
Formula weight
131.17 Da
Parent residue
Not provided by PubChem
2D structure of D-Methionine
D-Met

D-Methionine

D-甲硫氨酸

The D stereoisomer of methionine, retaining its thioether-containing side chain.

Formula
C5H11NO2S
Formula weight
149.21 Da
Parent residue
Not provided by PubChem
2D structure of D-Proline
D-Pro

D-Proline

D-脯氨酸

The D stereoisomer of proline, with its characteristic cyclic secondary amine backbone.

Formula
C5H9NO2
Formula weight
115.13 Da
Parent residue
Not provided by PubChem
2D structure of D-Serine
D-Ser

D-Serine

D-丝氨酸

The D stereoisomer of serine, retaining a hydroxymethyl side chain.

Formula
C3H7NO3
Formula weight
105.09 Da
Parent residue
Not provided by PubChem
2D structure of D-Threonine
D-Thr

D-Threonine

D-苏氨酸

The D stereoisomer of threonine, retaining a beta-hydroxylated side chain.

Formula
C4H9NO3
Formula weight
119.12 Da
Parent residue
Not provided by PubChem
2D structure of D-Tyrosine
D-Tyr

D-Tyrosine

D-酪氨酸

The D stereoisomer of tyrosine, retaining its phenolic aromatic side chain.

Formula
C9H11NO3
Formula weight
181.19 Da
Parent residue
Not provided by PubChem
2D structure of D-Valine
D-Val

D-Valine

D-缬氨酸

The D stereoisomer of valine with a compact, branched hydrophobic side chain.

Formula
C5H11NO2
Formula weight
117.15 Da
Parent residue
Not provided by PubChem

Conformationally restricted

10 entries
2D structure of Phenylglycine
CCD 004
HighPlay2

Phenylglycine

苯甘氨酸

A noncanonical residue with altered backbone or side-chain geometry for peptide design.

Formula
C8H9NO2
Formula weight
151.163 Da
Parent residue
Not assigned
2D structure of 2-aminoisobutyric acid
CCD AIB Aib
HighPlay2

2-aminoisobutyric acid

2-氨基异丁酸

An achiral alpha,alpha-disubstituted amino acid associated with restricted, helix-favoring conformations.

Formula
C4H9NO2
Formula weight
103.120 Da
Parent residue
ALA
2D structure of Cyclohexylglycine
CCD CHG
HighPlay2

Cyclohexylglycine

环己基甘氨酸

A noncanonical residue with altered backbone or side-chain geometry for peptide design.

Formula
C8H15NO2
Formula weight
157.210 Da
Parent residue
Not assigned
2D structure of 5-oxoproline (pyroglutamic acid)
CCD PCA
HighPlay2

5-oxoproline (pyroglutamic acid)

5-氧代脯氨酸(焦谷氨酸)

A noncanonical residue with altered backbone or side-chain geometry for peptide design.

Formula
C5H7NO3
Formula weight
129.114 Da
Parent residue
GLN
2D structure of tert-Leucine (3-methylvaline)
CCD TBG
HighPlay2

tert-Leucine (3-methylvaline)

叔亮氨酸(3-甲基缬氨酸)

A noncanonical residue with altered backbone or side-chain geometry for peptide design.

Formula
C6H13NO2
Formula weight
131.173 Da
Parent residue
VAL
2D structure of 1-Aminocyclopropane-1-carboxylic acid
Ac3c

1-Aminocyclopropane-1-carboxylic acid

1-氨基环丙烷-1-羧酸

An achiral cyclopropane alpha-amino acid that fixes the alpha-carbon substituents in a compact geometry.

Formula
C4H7NO2
Formula weight
101.10 Da
Parent residue
Not provided by PubChem
2D structure of L-Pipecolic acid
L-Pip

L-Pipecolic acid

L-哌啶-2-羧酸

A six-membered cyclic imino acid and ring-expanded homolog of proline.

Formula
C6H11NO2
Formula weight
129.16 Da
Parent residue
Not provided by PubChem
2D structure of L-Tetrahydroisoquinoline-3-carboxylic acid
L-Tic

L-Tetrahydroisoquinoline-3-carboxylic acid

L-1,2,3,4-四氢异喹啉-3-羧酸

A rigid cyclic aromatic amino acid used to restrict peptide backbone and side-chain geometry.

Formula
C10H11NO2
Formula weight
177.20 Da
Parent residue
Not provided by PubChem
2D structure of 1-Aminocyclobutane-1-carboxylic acid
Ac4c

1-Aminocyclobutane-1-carboxylic acid

1-氨基环丁烷-1-羧酸

An achiral alpha,alpha-disubstituted cyclic amino acid with a four-membered ring.

Formula
C5H9NO2
Formula weight
115.13 Da
Parent residue
Not provided by PubChem
2D structure of Cycloleucine
Ac5c

Cycloleucine

环亮氨酸

An achiral alpha,alpha-disubstituted cyclic amino acid with a five-membered ring.

Formula
C6H11NO2
Formula weight
129.16 Da
Parent residue
Not provided by PubChem

Side-chain analogs

22 entries
2D structure of O-methyl-L-tyrosine
CCD 0A1
HighPlay2

O-methyl-L-tyrosine

O-甲基-L-酪氨酸

A noncanonical analog of tyrosine included in the HighPlay2 design alphabet.

Formula
C10H13NO3
Formula weight
195.215 Da
Parent residue
TYR
2D structure of 5-hydroxy-L-tryptophan
CCD 4PQ
HighPlay2

5-hydroxy-L-tryptophan

5-羟基-L-色氨酸

A noncanonical analog of tryptophan included in the HighPlay2 design alphabet.

Formula
C11H12N2O3
Formula weight
220.225 Da
Parent residue
TRP
2D structure of 2-aminobutyric acid
CCD ABA L-Abu
HighPlay2

2-aminobutyric acid

2-氨基丁酸

A small aliphatic amino acid with a side chain one carbon longer than alanine.

Formula
C4H9NO2
Formula weight
103.120 Da
Parent residue
ALA
2D structure of beta-cyclohexylalanine
CCD ALC L-Cha
HighPlay2

beta-cyclohexylalanine

β-环己基丙氨酸

A hydrophobic phenylalanine analog containing a saturated cyclohexyl side chain.

Formula
C9H17NO2
Formula weight
171.237 Da
Parent residue
ALA
2D structure of Citrulline
CCD CIR L-Cit
HighPlay2

Citrulline

瓜氨酸

A neutral ureido amino acid structurally related to arginine.

Formula
C6H13N3O3
Formula weight
175.186 Da
Parent residue
ARG
2D structure of 3-hydroxy-L-tyrosine (L-DOPA)
CCD DAH
HighPlay2

3-hydroxy-L-tyrosine (L-DOPA)

3-羟基-L-酪氨酸(左旋多巴)

A noncanonical analog of tyrosine included in the HighPlay2 design alphabet.

Formula
C9H11NO4
Formula weight
197.188 Da
Parent residue
TYR
2D structure of 2-amino-4-(ethylthio)butyric acid
CCD ESC
HighPlay2

2-amino-4-(ethylthio)butyric acid

2-氨基-4-(乙硫基)丁酸

A noncanonical analog of methionine included in the HighPlay2 design alphabet.

Formula
C6H13NO2S
Formula weight
163.238 Da
Parent residue
MET
2D structure of 4-amino-L-phenylalanine
CCD HOX
HighPlay2

4-amino-L-phenylalanine

4-氨基-L-苯丙氨酸

A noncanonical analog of phenylalanine included in the HighPlay2 design alphabet.

Formula
C9H12N2O2
Formula weight
180.204 Da
Parent residue
PHE
2D structure of Homophenylalanine
CCD HPE L-hPhe
HighPlay2

Homophenylalanine

高苯丙氨酸

A phenylalanine homolog with one additional methylene group before the phenyl ring.

Formula
C10H13NO2
Formula weight
179.216 Da
Parent residue
PHE
2D structure of Homoserine
CCD HSE
HighPlay2

Homoserine

高丝氨酸

A noncanonical analog of serine included in the HighPlay2 design alphabet.

Formula
C4H9NO3
Formula weight
119.119 Da
Parent residue
SER
2D structure of Selenomethionine
CCD MSE
HighPlay2

Selenomethionine

硒代蛋氨酸

A noncanonical analog of methionine included in the HighPlay2 design alphabet.

Formula
C5H11NO2Se
Formula weight
196.106 Da
Parent residue
MET
2D structure of Norleucine
CCD NLE L-Nle
HighPlay2

Norleucine

正亮氨酸

A straight-chain, sulfur-free amino acid commonly used as a methionine analog.

Formula
C6H13NO2
Formula weight
131.173 Da
Parent residue
LEU
2D structure of Norvaline
CCD NVA
HighPlay2

Norvaline

正缬氨酸

A noncanonical analog of valine included in the HighPlay2 design alphabet.

Formula
C5H11NO2
Formula weight
117.146 Da
Parent residue
VAL
2D structure of Ornithine
CCD ORN L-Orn
HighPlay2

Ornithine

鸟氨酸

A basic non-proteinogenic amino acid whose side chain is one methylene shorter than lysine.

Formula
C5H12N2O2
Formula weight
132.161 Da
Parent residue
ALA
2D structure of 4-nitro-L-phenylalanine
CCD PPN
HighPlay2

4-nitro-L-phenylalanine

4-硝基-L-苯丙氨酸

A noncanonical analog of phenylalanine included in the HighPlay2 design alphabet.

Formula
C9H10N2O4
Formula weight
210.187 Da
Parent residue
PHE
2D structure of L-alpha-aminoadipic acid
CCD UN1
HighPlay2

L-alpha-aminoadipic acid

L-α-氨基己二酸

A noncanonical amino acid included in the HighPlay2 design alphabet.

Formula
C6H11NO4
Formula weight
161.156 Da
Parent residue
Not assigned
2D structure of 1-Naphthyl-L-alanine
1-Nal

1-Naphthyl-L-alanine

1-萘基-L-丙氨酸

A bulky aromatic alanine analog containing a 1-naphthyl side chain.

Formula
C13H13NO2
Formula weight
215.25 Da
Parent residue
Not provided by PubChem
2D structure of L-Homoarginine
L-hArg

L-Homoarginine

L-高精氨酸

An arginine homolog with one additional methylene group in the side chain.

Formula
C7H16N4O2
Formula weight
188.23 Da
Parent residue
Not provided by PubChem
2D structure of 2-Naphthyl-L-alanine
2-Nal

2-Naphthyl-L-alanine

2-萘基-L-丙氨酸

A bulky aromatic alanine analog containing a 2-naphthyl side chain.

Formula
C13H13NO2
Formula weight
215.25 Da
Parent residue
Not provided by PubChem
2D structure of L-alpha,beta-Diaminopropionic acid
L-Dap

L-alpha,beta-Diaminopropionic acid

L-α,β-二氨基丙酸

A short-chain diamino amino acid with an additional amino group on the beta carbon.

Formula
C3H8N2O2
Formula weight
104.11 Da
Parent residue
Not provided by PubChem
2D structure of L-2,4-Diaminobutyric acid
L-Dab

L-2,4-Diaminobutyric acid

L-2,4-二氨基丁酸

A basic diamino amino acid whose side chain is one methylene shorter than ornithine.

Formula
C4H10N2O2
Formula weight
118.13 Da
Parent residue
Not provided by PubChem
2D structure of L-Biphenylalanine
L-Bip

L-Biphenylalanine

L-联苯丙氨酸

A bulky hydrophobic phenylalanine analog bearing a para-linked second phenyl ring.

Formula
C15H15NO2
Formula weight
241.28 Da
Parent residue
Not provided by PubChem

Aromatic analogs

85 entries
2D structure of 7-hydroxy-L-tryptophan
0AF
SwissSidechain

7-hydroxy-L-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H12N2O3
Formula weight
220.22 Da
Parent residue
TRP
2D structure of 4-carbamimidoyl-L-phenylalanine
0BN
SwissSidechain

4-carbamimidoyl-L-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H14N3O2
Formula weight
209.25 Da
Parent residue
PHE
2D structure of 3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine
32T
SwissSidechain

3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C9H10N2O2S
Formula weight
210.25 Da
Parent residue
TRP
2D structure of 3-cyano-phenylalanine
3CF
SwissSidechain

3-cyano-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H10N2O2
Formula weight
191.21 Da
Parent residue
PHE
2D structure of (2S)-amino(3,5-dihydroxyphenyl)-ethanoic acid
3FG
SwissSidechain

(2S)-amino(3,5-dihydroxyphenyl)-ethanoic acid

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H9NO4
Formula weight
184.17 Da
Parent residue
Phg
2D structure of 3-Chloro-tyrosine
3MY
SwissSidechain

3-Chloro-tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10ClNO3
Formula weight
216.64 Da
Parent residue
PHE
2D structure of 4-cyano-phenylalanine
4CF
SwissSidechain

4-cyano-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H10N2O2
Formula weight
191.21 Da
Parent residue
PHE
2D structure of 4-fluoro-tryptophan
4FW
SwissSidechain

4-fluoro-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H11FN2O2
Formula weight
223.22 Da
Parent residue
TRP
2D structure of 4-hydroxymethyl-phenylalanine
4HMP
SwissSidechain

4-hydroxymethyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H13NO3
Formula weight
196.22 Da
Parent residue
PHE
2D structure of 4-hydroxy-tryptophan
4HT
SwissSidechain

4-hydroxy-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H12N2O3
Formula weight
220.22 Da
Parent residue
TRP
2D structure of 4-amino-L-tryptophan
4IN
SwissSidechain

4-amino-L-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H13N3O2
Formula weight
220.25 Da
Parent residue
TRP
2D structure of 4-methyl-phenylalanine
4PH
SwissSidechain

4-methyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H13NO2
Formula weight
180.22 Da
Parent residue
PHE
2D structure of 6-chloro-L-tryptophan
6CW
SwissSidechain

6-chloro-L-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H11ClN2O2
Formula weight
238.67 Da
Parent residue
TRP
2D structure of 3-(9-anthryl)-alanine
ANTH
SwissSidechain

3-(9-anthryl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C17H15NO2
Formula weight
266.31 Da
Parent residue
PHE
2D structure of 3-Methyl-phenylalanine
APD
SwissSidechain

3-Methyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H13NO2
Formula weight
180.22 Da
Parent residue
PHE
2D structure of M-amidinophenyl-3-alanine
APM
SwissSidechain

M-amidinophenyl-3-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H14N3O2
Formula weight
209.25 Da
Parent residue
PHE
2D structure of Phenylserine
BB8
SwissSidechain

Phenylserine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H11NO3
Formula weight
182.20 Da
Parent residue
PHE
2D structure of Benzylcysteine
BCS
SwissSidechain

Benzylcysteine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H13NO2S
Formula weight
212.29 Da
Parent residue
PHE
2D structure of 3-(3-benzothienyl)-alanine
BTH3
SwissSidechain

3-(3-benzothienyl)-alanine

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H11NO2S
Formula weight
221.28 Da
Parent residue
TRP
2D structure of 6-bromo-tryptophan
BTR
SwissSidechain

6-bromo-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H11BrN2O2
Formula weight
284.13 Da
Parent residue
TRP
2D structure of 3-chloro-4-hydroxy-phenylglycine
CHP
SwissSidechain

3-chloro-4-hydroxy-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H8ClNO3
Formula weight
202.62 Da
Parent residue
Phg
2D structure of 2-cyano-phenylalanine
CNP2
SwissSidechain

2-cyano-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H10N2O2
Formula weight
191.21 Da
Parent residue
PHE
2D structure of 2,4-dichloro-phenylalanine
CP24
SwissSidechain

2,4-dichloro-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H9Cl2NO2
Formula weight
235.09 Da
Parent residue
PHE
2D structure of 3,4-dichloro-phenylalanine
CP34
SwissSidechain

3,4-dichloro-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H9Cl2NO2
Formula weight
235.09 Da
Parent residue
PHE
2D structure of 2-Chloro-phenylglycine
CPG2
SwissSidechain

2-Chloro-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H8ClNO2
Formula weight
185.61 Da
Parent residue
Phg
2D structure of 3-Chloro-phenylglycine
CPG3
SwissSidechain

3-Chloro-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H8ClNO2
Formula weight
186.62 Da
Parent residue
Phg
2D structure of 4-Chloro-phenylglycine
CPG4
SwissSidechain

4-Chloro-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H8ClNO2
Formula weight
186.62 Da
Parent residue
Phg
2D structure of 2-chloro-Phenylalanine
CPH2
SwissSidechain

2-chloro-Phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10ClNO2
Formula weight
200.64 Da
Parent residue
PHE
2D structure of 7-chloro-tryptophan
CTE
SwissSidechain

7-chloro-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H11ClN2O2
Formula weight
238.67 Da
Parent residue
TRP
2D structure of 4-Hydroxy-phenylglycine
D4P
SwissSidechain

4-Hydroxy-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H9NO3
Formula weight
168.17 Da
Parent residue
Phg
2D structure of 3,5-dibromotyrosine
DBY
SwissSidechain

3,5-dibromotyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H9Br2NO3
Formula weight
339.99 Da
Parent residue
PHE
2D structure of 3,3-diphenylalanine
DIPH
SwissSidechain

3,3-diphenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C15H15NO2
Formula weight
242.29 Da
Parent residue
PHE
2D structure of 3-ethyl-phenylalanine
DMP3
SwissSidechain

3-ethyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C11H15NO2
Formula weight
194.25 Da
Parent residue
PHE
2D structure of 3,4-Difluoro-phenylalanine
F2F
SwissSidechain

3,4-Difluoro-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H9F2NO2
Formula weight
202.18 Da
Parent residue
PHE
2D structure of 3-chloro-Phenylalanine
FCL
SwissSidechain

3-chloro-Phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10ClNO2
Formula weight
200.64 Da
Parent residue
PHE
2D structure of 2-Fluoro-phenylglycine
FPG2
SwissSidechain

2-Fluoro-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H8FNO2
Formula weight
170.16 Da
Parent residue
Phg
2D structure of 3-Fluoro-phenylglycine
FPG3
SwissSidechain

3-Fluoro-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H8FNO2
Formula weight
170.16 Da
Parent residue
Phg
2D structure of 4-Fluoro-phenylglycine
FPG4
SwissSidechain

4-Fluoro-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C8H8FNO2
Formula weight
170.16 Da
Parent residue
Phg
2D structure of 2-Fluoro-Phenylalanine
FPH2
SwissSidechain

2-Fluoro-Phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10FNO2
Formula weight
184.19 Da
Parent residue
PHE
2D structure of 3-Fluoro-Phenylalanine
FPH3
SwissSidechain

3-Fluoro-Phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10FNO2
Formula weight
184.19 Da
Parent residue
PHE
2D structure of 6-fluoro-L-tryptophan
FT6
SwissSidechain

6-fluoro-L-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H11FN2O2
Formula weight
223.22 Da
Parent residue
TRP
2D structure of 3-(8-hydroxyquinolin-3-yl)-L-alanine
HQA
SwissSidechain

3-(8-hydroxyquinolin-3-yl)-L-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C12H12N2O3
Formula weight
233.24 Da
Parent residue
PHE
2D structure of Beta-hydroxy-tryptophane
HTR
SwissSidechain

Beta-hydroxy-tryptophane

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H12N2O3
Formula weight
221.23 Da
Parent residue
TRP
2D structure of 3-iodo-tyrosine
IYR
SwissSidechain

3-iodo-tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10INO3
Formula weight
308.09 Da
Parent residue
PHE
2D structure of Kynurenine
KYN
SwissSidechain

Kynurenine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H12N2O3
Formula weight
209.22 Da
Parent residue
PHE
2D structure of 5-Methoxy-tryptophan
MOT5
SwissSidechain

5-Methoxy-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C12H14N2O3
Formula weight
235.26 Da
Parent residue
TRP
2D structure of 3,4-Dimethyl-phenylalanine
MP34
SwissSidechain

3,4-Dimethyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C11H15NO2
Formula weight
193.24 Da
Parent residue
PHE
2D structure of 2-Methyl-phenylalanine
MPH2
SwissSidechain

2-Methyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H13NO2
Formula weight
180.22 Da
Parent residue
PHE
2D structure of 5-Methyl-tryptophan
MTR5
SwissSidechain

5-Methyl-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C12H14N2O2
Formula weight
219.26 Da
Parent residue
TRP
2D structure of 6-Methyl-tryptophan
MTR6
SwissSidechain

6-Methyl-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C12H14N2O2
Formula weight
219.26 Da
Parent residue
TRP
2D structure of M-Tyrosine
MTY
SwissSidechain

M-Tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H11NO3
Formula weight
182.20 Da
Parent residue
PHE
2D structure of 5-hydroxy-1-naphthalene
NAO1
SwissSidechain

5-hydroxy-1-naphthalene

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C13H13NO3
Formula weight
232.25 Da
Parent residue
PHE
2D structure of 6-hydroxy-2-naphthalene
NAO2
SwissSidechain

6-hydroxy-2-naphthalene

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C13H13NO3
Formula weight
232.25 Da
Parent residue
PHE
2D structure of Meta-nitro-tyrosine
NIY
SwissSidechain

Meta-nitro-tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10N2O5
Formula weight
226.19 Da
Parent residue
PHE
2D structure of (betar)-beta-hydroxy-L-tyrosine
OMX
SwissSidechain

(betar)-beta-hydroxy-L-tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H11NO4
Formula weight
198.20 Da
Parent residue
PHE
2D structure of (betar)-3-chloro-beta-hydroxy-L-tyrosine
OMY
SwissSidechain

(betar)-3-chloro-beta-hydroxy-L-tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10ClNO4
Formula weight
232.64 Da
Parent residue
PHE
2D structure of O-Tyrosine
OTYR
SwissSidechain

O-Tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H11NO3
Formula weight
182.20 Da
Parent residue
PHE
2D structure of 4-benzoyl-phenylalanine
PBF
SwissSidechain

4-benzoyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C16H15NO3
Formula weight
270.30 Da
Parent residue
PHE
2D structure of Pentafluoro-phenylalanine
PF5
SwissSidechain

Pentafluoro-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H6F5NO2
Formula weight
256.15 Da
Parent residue
PHE
2D structure of Phosphotyrosine
PTR
SwissSidechain

Phosphotyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H11NO6P
Formula weight
262.18 Da
Parent residue
PHE
2D structure of 3-(2-Pyridyl)-alanine
PYR2
SwissSidechain

3-(2-Pyridyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C8H10N2O2
Formula weight
166.18 Da
Parent residue
PHE
2D structure of 3-(3-Pyridyl)-alanine
PYR3
SwissSidechain

3-(3-Pyridyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C8H10N2O2
Formula weight
167.19 Da
Parent residue
PHE
2D structure of 3-(4-Pyridyl)-alanine
PYR4
SwissSidechain

3-(4-Pyridyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C8H10N2O2
Formula weight
167.19 Da
Parent residue
PHE
2D structure of 3-(2-Quinolyl)-alanine
QU32
SwissSidechain

3-(2-Quinolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C12H12N2O2
Formula weight
217.24 Da
Parent residue
PHE
2D structure of 3-(3-quinolyl)-alanine
QU33
SwissSidechain

3-(3-quinolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C12H12N2O2
Formula weight
217.24 Da
Parent residue
PHE
2D structure of 3-(4-quinolyl)-alanine
QU34
SwissSidechain

3-(4-quinolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C12H12N2O2
Formula weight
217.24 Da
Parent residue
PHE
2D structure of 3-(5-Quinolyl)-alanine
QU35
SwissSidechain

3-(5-Quinolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C12H12N2O2
Formula weight
217.24 Da
Parent residue
PHE
2D structure of 3-(6-Quinolyl)-alanine
QU36
SwissSidechain

3-(6-Quinolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C12H12N2O2
Formula weight
217.24 Da
Parent residue
PHE
2D structure of 3-(2-quinoxalyl)-alanine
QX32
SwissSidechain

3-(2-quinoxalyl)-alanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C11H11N3O2
Formula weight
218.23 Da
Parent residue
PHE
2D structure of Styrylalanine
STYA
SwissSidechain

Styrylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C11H13NO2
Formula weight
192.23 Da
Parent residue
PHE
2D structure of 4-tert-butyl-phenylalanine
TBP4
SwissSidechain

4-tert-butyl-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C13H19NO2
Formula weight
222.30 Da
Parent residue
PHE
2D structure of 2-(Trifluoromethyl)-phenylglycine
TFG2
SwissSidechain

2-(Trifluoromethyl)-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C9H8F3NO2
Formula weight
220.17 Da
Parent residue
Phg
2D structure of 3-(Trifluoromethyl)-phenylglycine
TFG3
SwissSidechain

3-(Trifluoromethyl)-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C9H8F3NO2
Formula weight
220.17 Da
Parent residue
Phg
2D structure of 4-(Trifluoromethyl)-phenylglycine
TFG4
SwissSidechain

4-(Trifluoromethyl)-phenylglycine

A SwissSidechain non-natural amino acid assigned to the phenylglycine-derivative reference family.

Formula
C9H8F3NO2
Formula weight
220.17 Da
Parent residue
Phg
2D structure of 2-(Trifluoromethyl)-phenylalanine
TFP2
SwissSidechain

2-(Trifluoromethyl)-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H10F3NO2
Formula weight
234.19 Da
Parent residue
PHE
2D structure of 3-(Trifluoromethyl)-phenylalanine
TFP3
SwissSidechain

3-(Trifluoromethyl)-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H10F3NO2
Formula weight
233.19 Da
Parent residue
PHE
2D structure of 4-(Trifluoromethyl)-phenylalanine
TFP4
SwissSidechain

4-(Trifluoromethyl)-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C10H10F3NO2
Formula weight
233.19 Da
Parent residue
PHE
2D structure of 2-hydroxy-tryptophan
TRO
SwissSidechain

2-hydroxy-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H12N2O3
Formula weight
221.23 Da
Parent residue
TRP
2D structure of 6-hydroxy-tryptophan
TRX
SwissSidechain

6-hydroxy-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H12N2O3
Formula weight
220.22 Da
Parent residue
TRP
2D structure of 6-amino-7-hydroxy-L-tryptophan
TTQ
SwissSidechain

6-amino-7-hydroxy-L-tryptophan

A SwissSidechain non-natural amino acid assigned to the tryptophan-derivative reference family.

Formula
C11H13N3O3
Formula weight
235.24 Da
Parent residue
TRP
2D structure of 3-Amino-L-tyrosine
TY2
SwissSidechain

3-Amino-L-tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H12N2O3
Formula weight
197.21 Da
Parent residue
PHE
2D structure of 3,5-diiodotyrosine
TYI
SwissSidechain

3,5-diiodotyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H9I2NO3
Formula weight
433.99 Da
Parent residue
PHE
2D structure of 3-amino-6-hydroxy-tyrosine
TYQ
SwissSidechain

3-amino-6-hydroxy-tyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H12N2O4
Formula weight
213.21 Da
Parent residue
PHE
2D structure of 3,5-Difluoro-phenylalanine
WFP
SwissSidechain

3,5-Difluoro-phenylalanine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H9F2NO2
Formula weight
202.18 Da
Parent residue
PHE
2D structure of 3-fluorotyrosine
YOF
SwissSidechain

3-fluorotyrosine

A SwissSidechain non-natural amino acid assigned to the phenylalanine-derivative reference family.

Formula
C9H10FNO3
Formula weight
200.19 Da
Parent residue
PHE

Aliphatic analogs

18 entries
2D structure of 2-Allyl-glycine
2AG
SwissSidechain

2-Allyl-glycine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C5H9NO2
Formula weight
116.14 Da
Parent residue
ALA
2D structure of Cis-amiclenomycin
ACZ
SwissSidechain

Cis-amiclenomycin

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C10H17N2O2
Formula weight
198.26 Da
Parent residue
ALA
2D structure of Adamanthane
ADAM
SwissSidechain

Adamanthane

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C13H21NO2
Formula weight
223.31 Da
Parent residue
ALA
2D structure of 2-Aminoheptanoic acid
AHP
SwissSidechain

2-Aminoheptanoic acid

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C7H15NO2
Formula weight
146.21 Da
Parent residue
ALA
2D structure of 5-bromo-L-isoleucine
BIU
SwissSidechain

5-bromo-L-isoleucine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C6H12BrNO2
Formula weight
211.08 Da
Parent residue
ALA
2D structure of Tertleucine
BUG
SwissSidechain

Tertleucine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C6H13NO2
Formula weight
132.18 Da
Parent residue
ALA
2D structure of 3-chloro-L-alanine
C2N
SwissSidechain

3-chloro-L-alanine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C3H6ClNO2
Formula weight
123.54 Da
Parent residue
ALA
2D structure of 3-Cyclopentyl-alanine
CPA3
SwissSidechain

3-Cyclopentyl-alanine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C8H15NO2
Formula weight
157.21 Da
Parent residue
ALA
2D structure of Diethylalanine
DILE
SwissSidechain

Diethylalanine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C7H15NO2
Formula weight
146.21 Da
Parent residue
ALA
2D structure of 3-Fluoro-valine
FVAL
SwissSidechain

3-Fluoro-valine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C5H10FNO2
Formula weight
136.15 Da
Parent residue
ALA
2D structure of Homoleucine
HLEU
SwissSidechain

Homoleucine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C7H15NO2
Formula weight
145.20 Da
Parent residue
ALA
2D structure of 3-methyl-L-alloisoleucine
I2M
SwissSidechain

3-methyl-L-alloisoleucine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C7H15NO2
Formula weight
146.21 Da
Parent residue
ALA
2D structure of Alpha-amino-2-indanacetic acid
IGL
SwissSidechain

Alpha-amino-2-indanacetic acid

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C11H13NO2
Formula weight
191.23 Da
Parent residue
ALA
2D structure of Allo-Isoleucine
IIL
SwissSidechain

Allo-Isoleucine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C6H13NO2
Formula weight
132.18 Da
Parent residue
ALA
2D structure of (4S)-5-fluoro-L-leucine
LEF
SwissSidechain

(4S)-5-fluoro-L-leucine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C6H12FNO2
Formula weight
150.17 Da
Parent residue
ALA
2D structure of Vinylglycine
LVG
SwissSidechain

Vinylglycine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C4H7NO2
Formula weight
101.10 Da
Parent residue
ALA
2D structure of (2S)-2-amino-4,4-difluorobutanoic acid
OBF
SwissSidechain

(2S)-2-amino-4,4-difluorobutanoic acid

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C4H7F2NO2
Formula weight
140.11 Da
Parent residue
ALA
2D structure of 5,5,5-Trifluoro-leucine
TFLE
SwissSidechain

5,5,5-Trifluoro-leucine

A SwissSidechain non-natural amino acid assigned to the alanine-derivative reference family.

Formula
C6H10F3NO2
Formula weight
186.15 Da
Parent residue
ALA

Acidic and amide analogs

20 entries
2D structure of 2-amino-6-oxopimelic acid
26P
SwissSidechain

2-amino-6-oxopimelic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C7H10NO5
Formula weight
189.17 Da
Parent residue
ASP
2D structure of 3-methyl-aspartic acid
2AS
SwissSidechain

3-methyl-aspartic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C5H8NO4
Formula weight
147.13 Da
Parent residue
ASP
2D structure of L-2-amino-6-methylene-pimelic acid
2NP
SwissSidechain

L-2-amino-6-methylene-pimelic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C8H12NO4
Formula weight
187.19 Da
Parent residue
ASP
2D structure of 4-hydroxy-glutamic-acid
3GL
SwissSidechain

4-hydroxy-glutamic-acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C5H8NO5
Formula weight
163.13 Da
Parent residue
ASP
2D structure of 6-carboxylysine
6CL
SwissSidechain

6-carboxylysine

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C7H14N2O4
Formula weight
191.21 Da
Parent residue
ASP
2D structure of Beta-hydroxyasparagine
AHB
SwissSidechain

Beta-hydroxyasparagine

A SwissSidechain non-natural amino acid assigned to the asparagine-derivative reference family.

Formula
C4H8N2O4
Formula weight
149.12 Da
Parent residue
ASN
2D structure of Beta-hydroxyaspartic acid
BHD
SwissSidechain

Beta-hydroxyaspartic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C4H6NO5
Formula weight
148.09 Da
Parent residue
ASP
2D structure of Carboxymethylated cysteine
CCS
SwissSidechain

Carboxymethylated cysteine

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C5H8NO4S
Formula weight
179.19 Da
Parent residue
ASP
2D structure of 3,3-dimethyl aspartic acid
DMK
SwissSidechain

3,3-dimethyl aspartic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C6H10NO4
Formula weight
160.15 Da
Parent residue
ASP
2D structure of 4-Fluoro-glutamic acid
FGA4
SwissSidechain

4-Fluoro-glutamic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C5H7FNO4
Formula weight
166.13 Da
Parent residue
ASP
2D structure of 2-amino-propanedioic acid
FGL
SwissSidechain

2-amino-propanedioic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C3H4NO4
Formula weight
118.07 Da
Parent residue
ASP
2D structure of (2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid
GHG
SwissSidechain

(2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid

A SwissSidechain non-natural amino acid assigned to the asparagine-derivative reference family.

Formula
C5H10N2O4
Formula weight
162.14 Da
Parent residue
ASN
2D structure of 5-o-methyl-glutamic acid
GME
SwissSidechain

5-o-methyl-glutamic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C6H11NO4
Formula weight
162.16 Da
Parent residue
ASP
2D structure of Glutamine hydroxamate
HGA
SwissSidechain

Glutamine hydroxamate

A SwissSidechain non-natural amino acid assigned to the asparagine-derivative reference family.

Formula
C5H10N2O4
Formula weight
163.15 Da
Parent residue
ASN
2D structure of (3R)-3-methyl-L-glutamic acid
LME
SwissSidechain

(3R)-3-methyl-L-glutamic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C6H10NO4
Formula weight
161.16 Da
Parent residue
ASP
2D structure of 3-methyl-L-glutamine
LMQ
SwissSidechain

3-methyl-L-glutamine

A SwissSidechain non-natural amino acid assigned to the asparagine-derivative reference family.

Formula
C6H12N2O3
Formula weight
161.18 Da
Parent residue
ASN
2D structure of (3S)-3-methyl-L-glutamic acid
MEG
SwissSidechain

(3S)-3-methyl-L-glutamic acid

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C6H10NO4
Formula weight
161.16 Da
Parent residue
ASP
2D structure of N5-methyl-glutamine
MEQ
SwissSidechain

N5-methyl-glutamine

A SwissSidechain non-natural amino acid assigned to the asparagine-derivative reference family.

Formula
C6H12N2O3
Formula weight
161.18 Da
Parent residue
ASN
2D structure of 2s,4r-4-methylglutamate
SYM
SwissSidechain

2s,4r-4-methylglutamate

A SwissSidechain non-natural amino acid assigned to the aspartate-derivative reference family.

Formula
C6H10NO4
Formula weight
161.16 Da
Parent residue
ASP
2D structure of Cysteine-s-acetamide
YCM
SwissSidechain

Cysteine-s-acetamide

A SwissSidechain non-natural amino acid assigned to the asparagine-derivative reference family.

Formula
C5H10N2O3S
Formula weight
179.22 Da
Parent residue
ASN

Basic amino acid analogs

17 entries
2D structure of 2-fluoro-L-histidine
2HF
SwissSidechain

2-fluoro-L-histidine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C6H9FN3O2
Formula weight
175.16 Da
Parent residue
HIS
2D structure of 5-methyl-arginine
AGM
SwissSidechain

5-methyl-arginine

A SwissSidechain non-natural amino acid assigned to the arginine-derivative reference family.

Formula
C7H17N4O2
Formula weight
190.24 Da
Parent residue
ARG
2D structure of C-gamma-hydroxy arginine
ARO
SwissSidechain

C-gamma-hydroxy arginine

A SwissSidechain non-natural amino acid assigned to the arginine-derivative reference family.

Formula
C6H15N4O3
Formula weight
192.22 Da
Parent residue
ARG
2D structure of Diaminobutyric acid
DAB
SwissSidechain

Diaminobutyric acid

A SwissSidechain non-natural amino acid assigned to the lysine-derivative reference family.

Formula
C4H11N2O2
Formula weight
119.14 Da
Parent residue
LYS
2D structure of (2-furyl)-alanine
FUA2
SwissSidechain

(2-furyl)-alanine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C7H9NO3
Formula weight
156.16 Da
Parent residue
HIS
2D structure of 2-Amino-4-guanidinobutryric acid
GBUT
SwissSidechain

2-Amino-4-guanidinobutryric acid

A SwissSidechain non-natural amino acid assigned to the arginine-derivative reference family.

Formula
C5H13N4O2
Formula weight
161.18 Da
Parent residue
ARG
2D structure of 2-Amino-3-guanidinopropionic acid
GDPR
SwissSidechain

2-Amino-3-guanidinopropionic acid

A SwissSidechain non-natural amino acid assigned to the arginine-derivative reference family.

Formula
C4H11N4O2
Formula weight
147.16 Da
Parent residue
ARG
2D structure of Canavanine
GGB
SwissSidechain

Canavanine

A SwissSidechain non-natural amino acid assigned to the arginine-derivative reference family.

Formula
C5H12N4O3
Formula weight
176.17 Da
Parent residue
ARG
2D structure of (2S)-2,8-diaminooctanoic acid
HHK
SwissSidechain

(2S)-2,8-diaminooctanoic acid

A SwissSidechain non-natural amino acid assigned to the lysine-derivative reference family.

Formula
C8H19N2O2
Formula weight
176.26 Da
Parent residue
LYS
2D structure of Homoarginine
HRG
SwissSidechain

Homoarginine

A SwissSidechain non-natural amino acid assigned to the arginine-derivative reference family.

Formula
C7H17N4O2
Formula weight
190.24 Da
Parent residue
ARG
2D structure of 3-(1-Pyrazolyl)-alanine
PYZ1
SwissSidechain

3-(1-Pyrazolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C6H9N3O2
Formula weight
156.16 Da
Parent residue
HIS
2D structure of 3-(2-Tetrazolyl)-alanine
TEZA
SwissSidechain

3-(2-Tetrazolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C4H7N5O2
Formula weight
158.14 Da
Parent residue
HIS
2D structure of 3-(3-thienyl)-alanine
THA3
SwissSidechain

3-(3-thienyl)-alanine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C7H9NO2S
Formula weight
172.22 Da
Parent residue
HIS
2D structure of Thio-citrulline
THIC
SwissSidechain

Thio-citrulline

A SwissSidechain non-natural amino acid assigned to the arginine-derivative reference family.

Formula
C6H13N3O2S
Formula weight
192.26 Da
Parent residue
ARG
2D structure of 3-(2-thienyl)-alanine
TIH
SwissSidechain

3-(2-thienyl)-alanine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C7H9NO2S
Formula weight
172.22 Da
Parent residue
HIS
2D structure of 3-(1,2,4-Triazol-1-yl)-alanine
TRZ4
SwissSidechain

3-(1,2,4-Triazol-1-yl)-alanine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C5H8N4O2
Formula weight
157.15 Da
Parent residue
HIS
2D structure of (4-thiazolyl)-alanine
TZA4
SwissSidechain

(4-thiazolyl)-alanine

A SwissSidechain non-natural amino acid assigned to the histidine-derivative reference family.

Formula
C6H8N2O2S
Formula weight
173.21 Da
Parent residue
HIS

Polar and sulfur-containing analogs

20 entries
2D structure of S-(difluoromethyl)-homocysteine
2FM
SwissSidechain

S-(difluoromethyl)-homocysteine

A SwissSidechain non-natural amino acid assigned to the methionine-derivative reference family.

Formula
C5H9F2NO2S
Formula weight
186.20 Da
Parent residue
MET
2D structure of Nitrilo-L-methionine
4CY
SwissSidechain

Nitrilo-L-methionine

A SwissSidechain non-natural amino acid assigned to the methionine-derivative reference family.

Formula
C5H8N2O2S
Formula weight
161.20 Da
Parent residue
MET
2D structure of 2-amino-5-hydroxypentanoic acid
AA4
SwissSidechain

2-amino-5-hydroxypentanoic acid

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C5H11NO3
Formula weight
134.15 Da
Parent residue
SER
2D structure of Allo-threonine
ALO
SwissSidechain

Allo-threonine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C4H9NO3
Formula weight
119.12 Da
Parent residue
SER
2D structure of Selenocysteine
CSE
SwissSidechain

Selenocysteine

A SwissSidechain non-natural amino acid assigned to the cysteine-derivative reference family.

Formula
C3H7NO2Se
Formula weight
168.05 Da
Parent residue
CYS
2D structure of 4-chloro-threonine
CTH
SwissSidechain

4-chloro-threonine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C4H8ClNO3
Formula weight
154.57 Da
Parent residue
SER
2D structure of 3,3-dihydroxy-alanine
DDZ
SwissSidechain

3,3-dihydroxy-alanine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C3H7NO4
Formula weight
122.10 Da
Parent residue
SER
2D structure of Homocysteine
HCS
SwissSidechain

Homocysteine

A SwissSidechain non-natural amino acid assigned to the cysteine-derivative reference family.

Formula
C4H9NO2S
Formula weight
136.19 Da
Parent residue
CYS
2D structure of 4-Hydroxy-L-isoleucine
HIL4
SwissSidechain

4-Hydroxy-L-isoleucine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C6H13NO3
Formula weight
148.18 Da
Parent residue
SER
2D structure of (2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid
HL2
SwissSidechain

(2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C6H13NO3
Formula weight
148.18 Da
Parent residue
SER
2D structure of Beta-hydroxyleucine
HLU
SwissSidechain

Beta-hydroxyleucine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C6H13NO3
Formula weight
147.17 Da
Parent residue
SER
2D structure of 3-hydroxy-L-valine
HVA
SwissSidechain

3-hydroxy-L-valine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C5H11NO3
Formula weight
133.15 Da
Parent residue
SER
2D structure of 4,5-dihydroxy-isoleucine
ILX
SwissSidechain

4,5-dihydroxy-isoleucine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C6H13NO4
Formula weight
163.17 Da
Parent residue
SER
2D structure of 6-hydroxy-L-norleucine
LDO
SwissSidechain

6-hydroxy-L-norleucine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C6H13NO3
Formula weight
148.18 Da
Parent residue
SER
2D structure of Penicillamine
LE1
SwissSidechain

Penicillamine

A SwissSidechain non-natural amino acid assigned to the cysteine-derivative reference family.

Formula
C5H11NO2S
Formula weight
150.22 Da
Parent residue
CYS
2D structure of Hydroxy-L-methionine
ME0
SwissSidechain

Hydroxy-L-methionine

A SwissSidechain non-natural amino acid assigned to the methionine-derivative reference family.

Formula
C5H11NO3S
Formula weight
166.22 Da
Parent residue
MET
2D structure of S-(2-hydroxyethyl)-L-cysteine
OCY
SwissSidechain

S-(2-hydroxyethyl)-L-cysteine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C5H11NO3S
Formula weight
165.21 Da
Parent residue
SER
2D structure of 4-hydroxy-L-threonine
TH6
SwissSidechain

4-hydroxy-L-threonine

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C4H9NO4
Formula weight
135.12 Da
Parent residue
SER
2D structure of Phosphothreonine  (charge: -2)
TPO2
SwissSidechain

Phosphothreonine (charge: -2)

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C4H8NO6P
Formula weight
200.11 Da
Parent residue
SER
2D structure of Hydroxynorvaline
VAH
SwissSidechain

Hydroxynorvaline

A SwissSidechain non-natural amino acid assigned to the serine-derivative reference family.

Formula
C5H11NO3
Formula weight
133.15 Da
Parent residue
SER

Other noncanonical amino acids

12 entries
2D structure of (2R)-2-amino-4-oxobutanoic acid
AS2
SwissSidechain

(2R)-2-amino-4-oxobutanoic acid

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C4H7NO3
Formula weight
117.10 Da
Parent residue
Not assigned
2D structure of Azido-alanine
AZDA
SwissSidechain

Azido-alanine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C3H6N4O2
Formula weight
131.11 Da
Parent residue
Not assigned
2D structure of Canaline
CAN
SwissSidechain

Canaline

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C4H10N2O3
Formula weight
135.14 Da
Parent residue
Not assigned
2D structure of S-acetonylcysteine
CSA
SwissSidechain

S-acetonylcysteine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C6H11NO3S
Formula weight
178.23 Da
Parent residue
Not assigned
2D structure of (4R)-5-oxo-L-leucine
LED
SwissSidechain

(4R)-5-oxo-L-leucine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C6H11NO3
Formula weight
146.16 Da
Parent residue
Not assigned
2D structure of 4-oxo-L-valine
LVN
SwissSidechain

4-oxo-L-valine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C5H9NO3
Formula weight
131.13 Da
Parent residue
Not assigned
2D structure of 3,3-dimethyl-methionine sulfoxide
M2S
SwissSidechain

3,3-dimethyl-methionine sulfoxide

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C7H15NO3S
Formula weight
194.27 Da
Parent residue
Not assigned
2D structure of O-acetylserine
OAS
SwissSidechain

O-acetylserine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C5H9NO4
Formula weight
148.14 Da
Parent residue
Not assigned
2D structure of O-methyl-L-threonine
OLT
SwissSidechain

O-methyl-L-threonine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C5H11NO3
Formula weight
134.15 Da
Parent residue
Not assigned
2D structure of 5-oxo-L-norleucine
ONL
SwissSidechain

5-oxo-L-norleucine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C6H11NO3
Formula weight
146.16 Da
Parent residue
Not assigned
2D structure of 2-thienylglycine
THG2
SwissSidechain

2-thienylglycine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C6H7NO2S
Formula weight
158.20 Da
Parent residue
Not assigned
2D structure of 3-thienylglycine
THG3
SwissSidechain

3-thienylglycine

A SwissSidechain non-natural amino acid assigned to the other non-natural sidechain reference family.

Formula
C6H7NO2S
Formula weight
158.20 Da
Parent residue
Not assigned

Beta-amino acids

4 entries
2D structure of (3S)-Beta-leucine
beta-Leu

(3S)-Beta-leucine

(3S)-β-亮氨酸

A branched-chain beta-amino acid containing an isopropyl side chain.

Formula
C6H13NO2
Formula weight
131.17 Da
Parent residue
Not provided by PubChem
2D structure of (S)-3-Amino-4-phenylbutanoic acid
beta-hPhe

(S)-3-Amino-4-phenylbutanoic acid

(S)-3-氨基-4-苯基丁酸

An aromatic beta-amino acid containing a benzyl substituent on the amino-bearing carbon.

Formula
C10H13NO2
Formula weight
179.22 Da
Parent residue
Not provided by PubChem
2D structure of (S)-3-Aminobutyric acid
beta-hAla

(S)-3-Aminobutyric acid

(S)-3-氨基丁酸

A chiral beta-amino acid with a methyl substituent on the amino-bearing beta carbon.

Formula
C4H9NO2
Formula weight
103.12 Da
Parent residue
Not provided by PubChem
2D structure of Beta-alanine
beta-Ala

Beta-alanine

β-丙氨酸

An achiral beta-amino acid with the amino group on the beta carbon, extending the peptide backbone.

Formula
C3H7NO2
Formula weight
89.09 Da
Parent residue
Not provided by PubChem

N-methyl amino acids

17 entries
2D structure of N-methylserine
CCD 5JP
HighPlay2

N-methylserine

N-甲基丝氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C4H9NO3
Formula weight
119.119 Da
Parent residue
SER
2D structure of N-methyltryptophan
CCD E9M
HighPlay2

N-methyltryptophan

N-甲基色氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C12H14N2O2
Formula weight
218.252 Da
Parent residue
TRP
2D structure of N-methylglutamic acid
CCD EME
HighPlay2

N-methylglutamic acid

N-甲基谷氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C6H11NO4
Formula weight
161.156 Da
Parent residue
GLU
2D structure of N-methylglutamine
CCD GNC
HighPlay2

N-methylglutamine

N-甲基谷氨酰胺

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C6H12N2O3
Formula weight
160.171 Da
Parent residue
GLN
2D structure of N-methylisoleucine
CCD IML
HighPlay2

N-methylisoleucine

N-甲基异亮氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C7H15NO2
Formula weight
145.199 Da
Parent residue
ILE
2D structure of N-methylalanine
CCD MAA N-Me-L-Ala
HighPlay2

N-methylalanine

N-甲基丙氨酸

An N-methylated alanine that changes backbone hydrogen-bonding and conformational behavior.

Formula
C4H9NO2
Formula weight
103.120 Da
Parent residue
ALA
2D structure of N-methylphenylalanine
CCD MEA N-Me-L-Phe
HighPlay2

N-methylphenylalanine

N-甲基苯丙氨酸

An aromatic N-methyl amino acid used to alter backbone hydrogen bonding and conformation.

Formula
C10H13NO2
Formula weight
179.216 Da
Parent residue
PHE
2D structure of N-methylasparagine
CCD MEN
HighPlay2

N-methylasparagine

N-甲基天冬酰胺

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C5H10N2O3
Formula weight
146.144 Da
Parent residue
ASN
2D structure of N-methylleucine
CCD MLE N-Me-L-Leu
HighPlay2

N-methylleucine

N-甲基亮氨酸

A hydrophobic N-methylated leucine derivative with altered backbone hydrogen-bonding capacity.

Formula
C7H15NO2
Formula weight
145.199 Da
Parent residue
LEU
2D structure of N-methylmethionine
CCD MME
HighPlay2

N-methylmethionine

N-甲基蛋氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C6H13NO2S
Formula weight
163.238 Da
Parent residue
MET
2D structure of N-methylvaline
CCD MVA
HighPlay2

N-methylvaline

N-甲基缬氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C6H13NO2
Formula weight
131.173 Da
Parent residue
VAL
2D structure of N-methylcysteine
CCD NCY
HighPlay2

N-methylcysteine

N-甲基半胱氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C4H9NO2S
Formula weight
135.185 Da
Parent residue
Not assigned
2D structure of N-methyllysine
CCD NMK
HighPlay2

N-methyllysine

N-甲基赖氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C7H17N2O2
Formula weight
161.222 Da
Parent residue
Not assigned
2D structure of N-methylthreonine
CCD NZC
HighPlay2

N-methylthreonine

N-甲基苏氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C5H11NO3
Formula weight
133.146 Da
Parent residue
THR
2D structure of N-methylglycine (sarcosine)
CCD SAR Sar
HighPlay2

N-methylglycine (sarcosine)

N-甲基甘氨酸(肌氨酸)

N-Methylglycine, the simplest achiral N-methyl amino acid building block.

Formula
C3H7NO2
Formula weight
89.093 Da
Parent residue
GLY
2D structure of N-methylaspartic acid
CCD SOQ
HighPlay2

N-methylaspartic acid

N-甲基天冬氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C5H9NO4
Formula weight
147.129 Da
Parent residue
Not assigned
2D structure of N-methyltyrosine
CCD YNM
HighPlay2

N-methyltyrosine

N-甲基酪氨酸

An N-methylated amino acid represented explicitly in the HighPlay2 residue alphabet.

Formula
C10H13NO3
Formula weight
195.215 Da
Parent residue
TYR

Halogenated amino acids

8 entries
2D structure of 2-chloro-L-phenylalanine
CCD 2L5
HighPlay2

2-chloro-L-phenylalanine

2-氯-L-苯丙氨酸

A halogenated amino acid analog represented explicitly in the HighPlay2 residue alphabet.

Formula
C9H10ClNO2
Formula weight
199.634 Da
Parent residue
Not assigned
2D structure of Trifluoroalanine
CCD FLA
HighPlay2

Trifluoroalanine

三氟丙氨酸

A halogenated amino acid analog represented explicitly in the HighPlay2 residue alphabet.

Formula
C3H4F3NO2
Formula weight
143.065 Da
Parent residue
ALA
2D structure of 5-fluoro-L-tryptophan
CCD FTR
HighPlay2

5-fluoro-L-tryptophan

5-氟-L-色氨酸

A halogenated amino acid analog represented explicitly in the HighPlay2 residue alphabet.

Formula
C11H11FN2O2
Formula weight
222.216 Da
Parent residue
TRP
2D structure of 3-fluoro-L-phenylalanine
CCD N0A
HighPlay2

3-fluoro-L-phenylalanine

3-氟-L-苯丙氨酸

A halogenated amino acid analog represented explicitly in the HighPlay2 residue alphabet.

Formula
C9H10FNO2
Formula weight
183.180 Da
Parent residue
PHE
2D structure of 4-fluoro-L-phenylalanine
CCD PFF 4-F-L-Phe
HighPlay2

4-fluoro-L-phenylalanine

4-氟-L-苯丙氨酸

A para-fluorinated phenylalanine analog with modified aromatic electronic properties.

Formula
C9H10FNO2
Formula weight
183.180 Da
Parent residue
PHE
2D structure of 4-iodo-L-phenylalanine
CCD PHI 4-I-L-Phe
HighPlay2

4-iodo-L-phenylalanine

4-碘-L-苯丙氨酸

A para-iodinated phenylalanine analog with an iodine-substituted aromatic ring.

Formula
C9H10INO2
Formula weight
291.086 Da
Parent residue
PHE
2D structure of 4-Bromo-L-phenylalanine
4-Br-L-Phe

4-Bromo-L-phenylalanine

4-溴-L-苯丙氨酸

A para-brominated phenylalanine analog with a larger halogen substituent.

Formula
C9H10BrNO2
Formula weight
244.08 Da
Parent residue
Not provided by PubChem
2D structure of 4-Chloro-L-phenylalanine
4-Cl-L-Phe

4-Chloro-L-phenylalanine

4-氯-L-苯丙氨酸

A para-chlorinated phenylalanine analog with a halogenated aromatic side chain.

Formula
C9H10ClNO2
Formula weight
199.63 Da
Parent residue
Not provided by PubChem

Bioorthogonal amino acids

4 entries
2D structure of Propargylglycine
CCD F9D L-Pra
HighPlay2

Propargylglycine

炔丙基甘氨酸

A terminal-alkyne amino acid used as a handle for click-chemistry conjugation.

Formula
C5H7NO2
Formula weight
113.115 Da
Parent residue
Not assigned
2D structure of L-Azidohomoalanine
Aha

L-Azidohomoalanine

L-叠氮高丙氨酸

An azide-bearing methionine analog used as a bioorthogonal labeling handle.

Formula
C4H8N4O2
Formula weight
144.13 Da
Parent residue
Not provided by PubChem
2D structure of L-Homopropargylglycine
Hpg

L-Homopropargylglycine

L-高炔丙基甘氨酸

A methionine analog bearing a terminal alkyne for bioorthogonal labeling and conjugation.

Formula
C6H9NO2
Formula weight
127.14 Da
Parent residue
Not provided by PubChem
2D structure of p-Azido-L-phenylalanine
pAzF

p-Azido-L-phenylalanine

4-叠氮-L-苯丙氨酸

A phenylalanine analog bearing a para-azide group as a bioorthogonal reaction handle.

Formula
C9H10N4O2
Formula weight
206.20 Da
Parent residue
Not provided by PubChem

Modified residues

16 entries
2D structure of S-methyl-D-cysteine
CCD 060
HighPlay2

S-methyl-D-cysteine

S-甲基-D-半胱氨酸

CCD identity note HighPlay2 labels the L isomer; CCD 060 is defined as D-peptide linking. Study label: S-methyl-L-cysteine
Formula
C4H9NO2S
Formula weight
135.185 Da
Parent residue
Not assigned
2D structure of N,N-dimethylarginine (SDMA)
CCD 2MR
HighPlay2

N,N-dimethylarginine (SDMA)

对称二甲基精氨酸(SDMA)

A chemically modified residue represented by a defined PDB CCD component.

Formula
C8H18N4O2
Formula weight
202.254 Da
Parent residue
ARG
2D structure of N6-acetyl-L-lysine
CCD ALY AcK
HighPlay2

N6-acetyl-L-lysine

N6-乙酰-L-赖氨酸

An L-lysine residue acetylated at the side-chain amino group, representing lysine acetylation.

Formula
C8H16N2O3
Formula weight
188.224 Da
Parent residue
LYS
2D structure of S-carboxymethyl-D-cysteine
CCD CCJ
HighPlay2

S-carboxymethyl-D-cysteine

S-羧甲基-D-半胱氨酸

CCD identity note HighPlay2 labels the L isomer; CCD CCJ is defined as D-peptide linking. Study label: S-carboxymethyl-L-cysteine
Formula
C5H9NO4S
Formula weight
179.194 Da
Parent residue
Not assigned
2D structure of Asymmetric dimethylarginine (ADMA)
CCD DA2
HighPlay2

Asymmetric dimethylarginine (ADMA)

非对称二甲基精氨酸(ADMA)

A chemically modified residue represented by a defined PDB CCD component.

Formula
C8H18N4O2
Formula weight
202.254 Da
Parent residue
ARG
2D structure of 1-methyl-L-histidine
CCD HIC
HighPlay2

1-methyl-L-histidine

1-甲基-L-组氨酸

A chemically modified residue represented by a defined PDB CCD component.

Formula
C7H11N3O2
Formula weight
169.181 Da
Parent residue
HIS
2D structure of 4-hydroxyproline
CCD HYP L-Hyp
HighPlay2

4-hydroxyproline

4-羟基脯氨酸

A 4-hydroxylated proline residue found prominently in collagen-derived sequences.

Formula
C5H9NO3
Formula weight
131.130 Da
Parent residue
PRO
2D structure of Methionine sulfoxide
CCD MHO
HighPlay2

Methionine sulfoxide

蛋氨酸亚砜

A chemically modified residue represented by a defined PDB CCD component.

Formula
C5H11NO3S
Formula weight
165.211 Da
Parent residue
MET
2D structure of 3-methyl-L-histidine
CCD MHS
HighPlay2

3-methyl-L-histidine

3-甲基-L-组氨酸

A chemically modified residue represented by a defined PDB CCD component.

Formula
C7H11N3O2
Formula weight
169.181 Da
Parent residue
HIS
2D structure of 3-sulfo-L-alanine (cysteic acid)
CCD OCS
HighPlay2

3-sulfo-L-alanine (cysteic acid)

3-磺基-L-丙氨酸(半胱氨酸磺酸)

A chemically modified residue represented by a defined PDB CCD component.

Formula
C3H7NO5S
Formula weight
169.156 Da
Parent residue
CYS
2D structure of Methionine sulfone
CCD OMT
HighPlay2

Methionine sulfone

蛋氨酸砜

A chemically modified residue represented by a defined PDB CCD component.

Formula
C5H11NO4S
Formula weight
181.210 Da
Parent residue
MET
2D structure of N6-propionyl-L-lysine
CCD PRK
HighPlay2

N6-propionyl-L-lysine

N6-丙酰-L-赖氨酸

A chemically modified residue represented by a defined PDB CCD component.

Formula
C9H18N2O3
Formula weight
202.251 Da
Parent residue
LYS
2D structure of Phosphoserine
CCD SEP pSer
HighPlay2

Phosphoserine

磷酸丝氨酸

The phosphorylated form of L-serine and a common post-translationally modified residue.

Formula
C3H8NO6P
Formula weight
185.072 Da
Parent residue
SER
2D structure of S-(2-aminoethyl)-L-cysteine
CCD SLZ
HighPlay2

S-(2-aminoethyl)-L-cysteine

S-(2-氨基乙基)-L-半胱氨酸

A chemically modified residue represented by a defined PDB CCD component.

Formula
C5H12N2O2S
Formula weight
164.226 Da
Parent residue
LYS
2D structure of Phosphothreonine
CCD TPO
HighPlay2

Phosphothreonine

磷酸苏氨酸

A chemically modified residue represented by a defined PDB CCD component.

Formula
C4H10NO6P
Formula weight
199.099 Da
Parent residue
THR
2D structure of O-Sulfo-L-tyrosine
sTyr

O-Sulfo-L-tyrosine

O-磺基-L-酪氨酸

An L-tyrosine residue sulfated at the phenolic oxygen, representing tyrosine sulfation.

Formula
C9H11NO6S
Formula weight
261.25 Da
Parent residue
Not provided by PubChem