Basic information
- CAS
149-63-3- Standard SMILES
O=C([O-])CC(=O)C(=O)[O-]- InChIKey
KHPXUQMNIQBQEV-UHFFFAOYSA-L- Molecular formula
- C4H2O5-2
- Average molar mass
- 130.06 g/mol
Overview
Oxaloacetate(2-) is a C4-dicarboxylate resuting from deprotonation of both carboxy groups of oxaloacetic acid. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is an oxo dicarboxylic acid dianion and a C4-dicarboxylate. It is functionally related to a succinate(2-). It is a conjugate base of an oxaloacetic acid.
Names & identifiers
- Preferred name
- Oxalacetate
- IUPAC
- 2-oxobutanedioate
- English name
- 2-oxobutanedioic acid
- Molecular formula
- C4H2O5(-2)
- Molecular weight
- 130.06
Names & synonyms
oxalacetate149-63-3RefChem:10939332-oxobutanedioateOxobutanedioateoxaloacetate(2-)oxosuccinateButanedioic acid, oxo-, ion(2-)oxaloacetate dianion3p4qoxobutanedioic acid, ion(2-)CHEBI:16452
Show more names
2-OXOBUTANEDIOIC ACID
KHPXUQMNIQBQEV-UHFFFAOYSA-LQ27101912
Database identifiers
- CAS
149-63-3- PubChem CID
- 164550
- ChEBI
CHEBI:16452- Nikkaji
- J1.263.971F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- -2
- Complexity
- 147
Chemistry & industry
Additional notes
DefinitionChEBI: A C4-dicarboxylate resuting from deprotonation of both carboxy groups of oxaloacetic acid.
Related reactions
4 records
Compound notes
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