Molecular Identity
Oxaloacetic Acid
2-oxobutanedioic acid
PubChem CID: 970
Oxaloacetic acid is an oxodicarboxylic acid that is succinic acid bearing a single oxo group. It has a role as a geroprotector and a metabolite. It is an oxo dicarboxylic acid and a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of an oxaloacetate(2-).
2D Structure
Properties
C4H4O5
Molecular Formula
132.07
Molecular Weight
g/mol
132.0059
Exact Mass
Da
-0.6
XLogP
Drug-like (Lipinski: < 5)
91.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
158
Complexity
SMILES
Canonical SMILES
SMILES: C(C(=O)C(=O)O)C(=O)OIsomeric SMILES
SMILES: C(C(=O)C(=O)O)C(=O)OSynonyms(20)
oxalacetic acidoxaloacetic acid328-42-72-Oxobutanedioic acidoxaloacetateKetosuccinic acidOxosuccinic acid2-Ketosuccinic acidButanedioic acid, oxo-Bioepg2-oxo-butanedioic acidketo-oxaloacetateDTXSID8021646NSC-776882F399MM81J
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Oxaloacetic Acid
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