Chem
J-GLOBAL ID：200907028511036099
Nikkaji number：J37.488A
cis-Aconitic acid
cis-アコニット酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C6H6O6
Molecular formula furigana： C6-H6-O6
Molecular weight： 174.108
InChI：
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChI key：
GTZCVFVGUGFEME-IWQZZHSRSA-N
SMILES：
OC(=O)C/C(=C/C(=O)O)/C(=O)O
Systematic name (4)：
- (1Z)-1-プロペン-1,2,3-トリカルボン酸
- (Z)-1-プロペン-1,2,3-トリカルボン酸
- (1Z)-プロパ-1-エン-1,2,3-トリカルボン酸
- (1Z)-prop-1-ene-1,2,3-tricarboxylic acid
- cis-アコニット酸
- cis-Aconitic acid
- (Z)-1-Propene-1,2,3-tricarboxylic acid
- (1Z)-1-Propene-1,2,3-tricarboxylic acid
Regulation number (2)：
- EINECS2095644
- TSCA(585-84-2)
KEGG COMPOUND：
C00417
Application (1)：
metabolite
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