Oxalacetate

HCID 164550CAS 149-63-3

基本情報

標準SMILES: O=C([O-])CC(=O)C(=O)[O-]
InChIKey: KHPXUQMNIQBQEV-UHFFFAOYSA-L
分子式: C4H2O5-2
平均分子量: 130.06 g/mol

概要

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.

名称と識別子

優先名称: Oxalacetate
IUPAC: 2-oxobutanedioate
英語名: 2-oxobutanedioic acid
分子式: C4H2O5(-2)
分子量: 130.06

名称と別名

oxalacetate149-63-3RefChem:10939332-oxobutanedioateOxobutanedioateoxaloacetate(2-)oxosuccinateButanedioic acid, oxo-, ion(2-)oxaloacetate dianion3p4qoxobutanedioic acid, ion(2-)CHEBI:16452

名称をさらに表示

2-OXOBUTANEDIOIC ACID

KHPXUQMNIQBQEV-UHFFFAOYSA-LQ27101912

データベース識別子

CAS: 149-63-3
PubChem CID: 164550
ChEBI: CHEBI:16452
Nikkaji: J1.263.971F

物性

構造計算による物性

XLogP: 0.7
極性表面積: 97.3 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 9
形式電荷: -2
複雑度: 147

化学と産業

補足説明

定義ChEBI: A C4-dicarboxylate resuting from deprotonation of both carboxy groups of oxaloacetic acid.