Chemical Components in the PDB

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OAA : Summary

Code

OAA

One-letter code

X

Molecule name

OXALOACETATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 3-carboxy-3-oxopropanoate
OpenEye OEToolkits 1.5.0 4-hydroxy-3,4-dioxo-butanoate

Formula

C4 H3 O5

Formal charge

-1

Molecular weight

131.064 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [O-]C(=O)CC(=O)C(=O)O
SMILES CACTVS 3.341 OC(=O)C(=O)CC([O-])=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)C(=O)[O-]
Canonical SMILES CACTVS 3.341 OC(=O)C(=O)CC([O-])=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)C(=O)O)C(=O)[O-]

IUPAC InChI

InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1

IUPAC InChI key

KHPXUQMNIQBQEV-UHFFFAOYSA-M
OAA

wwPDB Information

Atom count

12 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned