Chemical Components in the PDB

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AZS : Summary

Code

AZS

One-letter code

S

Molecule name

O-DIAZOACETYL-L-SERINE

Synonyms

ASASERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 O-(diazoacetyl)-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(2-diazoethanoyloxy)propanoic acid

Formula

C5 H7 N3 O4

Formal charge

0

Molecular weight

173.127 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OCC(N)C(=O)O)\C=[N+]=[N-]
SMILES CACTVS 3.341 N[CH](COC(=O)C=[N+]=[N-])C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)OC(=O)C=[N+]=[N-]
Canonical SMILES CACTVS 3.341 N[C@@H](COC(=O)C=[N+]=[N-])C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]

IUPAC InChI

InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1

IUPAC InChI key

MZZGOOYMKKIOOX-VKHMYHEASA-N
AZS

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2007-09-20

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned