Chemical Components in the PDB

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G1X : Summary

Code

G1X

One-letter code

Y

Molecule name

(2S)-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid

Synonyms

L-dopaquinone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-3-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]propanoic acid

Formula

C9 H9 N O4

Formal charge

0

Molecular weight

195.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CC1=CC(=O)C(=O)C=C1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C1=CC(=O)C(=O)C=C1CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1

IUPAC InChI key

AHMIDUVKSGCHAU-LURJTMIESA-N
G1X

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

TYR

Defined at

2020-07-15

Last modified at

2021-06-11

Status

Released

Obsoleted

Not Assigned