OAA

OXALOACETATE ION

Created:	1999-07-08
Last modified:	2024-09-27

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77 entries where OAA is found as a standalone ligand1 entries where OAA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-1
Atom Count	12
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	0

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Chemical Component Summary
Name	OXALOACETATE ION
Systematic Name (OpenEye OEToolkits)	4-hydroxy-3,4-dioxo-butanoate
Formula	C₄ H₃ O₅
Molecular Weight	131.064
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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-]
InChI	InChI	1.03	InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKey	InChI	1.03	KHPXUQMNIQBQEV-UHFFFAOYSA-M

Drug Info: DrugBank

DrugBank ID	DB02637
Name	Oxaloacetate Ion
Groups	experimental
Synonyms	Oxaloacetate Ion

Drug Targets

Name	Target Sequence	Pharmacological Action
Citrate synthase, mitochondrial	MALLTAAARLLGTKNASCLVLAARHASASSTNLKDILADLIPKEQARIKT...	unknown
Malate dehydrogenase	MAKTPMRVAVTGAAGQICYSLLFRIANGDMLGKDQPVILQLLEIPNEKAQ...	unknown
Sepiapterin reductase	MEGGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSARNDEALRQL...	unknown
Methylmalonyl-CoA carboxyltransferase 5S subunit	MSPREIEVSEPREVGITELVLRDAHQSLMATRMAMEDMVGACADIDAAGY...	unknown
Citrate lyase subunit beta-like protein	MNAPPALLRSVLFAPGNRADLIAKLPRSAPDAVVIDLEDAVPGTAEAKAA...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682