Chemical Components in the PDB

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OAS : Summary

Code

OAS

One-letter code

S

Molecule name

O-ACETYLSERINE

Systematic names

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

Formula

C5 H9 N O4

Formal charge

0

Molecular weight

147.129 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1

IUPAC InChI key

VZXPDPZARILFQX-BYPYZUCNSA-N
OAS

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2000-02-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned