Chem
J-GLOBAL ID：200907081080262876   Nikkaji number：J181.759K

cis-Homoaconitate

cis-ホモアコニット酸
Substance type：
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
Molecular formula： C7H8O6
Molecular formula furigana： C7-H8-O6
Molecular weight： 188.135
InChI： InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)/b4-3-
InChI key： BJYPZFUWWJSAKC-ARJAWSKDSA-N
SMILES： OC(=O)CC/C(=C/C(=O)O)/C(=O)O
Systematic name  (3)：
  • (Z)-1-ブテン-1,2,4-トリカルボン酸
  • (1Z)-ブタ-1-エン-1,2,4-トリカルボン酸
  • (1Z)-but-1-ene-1,2,4-tricarboxylic acid
Other name (7)：
  • (Z)-1-Butene-1,2,4-tricarboxylic acid
  • cis-ホモアコニット酸
  • cis-Homoaconitic acid
  • (Z)-But-1-ene-1,2,4-tricarboxylate
  • Homo-cis-aconitate
Show all
CAS registry number： 7279-64-3
KEGG COMPOUND： C04002
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