Chem
J-GLOBAL ID：200907031786515052   Nikkaji number：J6.107G

Mesaconic acid

メサコン酸
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： C5H6O4
Molecular formula furigana： C5-H6-O4
Molecular weight： 130.098
InChI： InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChI key： HNEGQIOMVPPMNR-NSCUHMNNSA-N
SMILES： C/C(=C\C(=O)O)/C(=O)O
Systematic name  (5)：
  • (E)-2-メチル-2-ブテン二酸
  • メチルフマル酸
  • 2-メチルフマル酸
  • (2E)-2-メチルブタ-2-エン二酸
  • (2E)-2-methylbut-2-enedioic acid
Other name (5)：
  • メサコン酸
  • Mesaconic acid
  • Methylfumaric acid
  • (E)-2-Methyl-2-butenedioic acid
  • 2-Methylfumaric acid
CAS registry number： 498-24-8
Regulation number (3)：
  • EINECS2078592
  • OX5075000
  • TSCA(498-24-8)
KEGG COMPOUND： C01732
Application (1)：
metabolite
Thsaurus map：
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