Chem
J-GLOBAL ID:200907065701180180   Nikkaji number:J95.796H

Isocitric acid

イソくえん酸
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: C6H8O7
Molecular formula furigana: C6-H8-O7
Molecular weight: 192.123
InChI: InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChI key: ODBLHEXUDAPZAU-UHFFFAOYSA-N
SMILES: OC(C(CC(=O)O)C(=O)O)C(=O)O
Systematic name  (3):
  • 1-ヒドロキシ-1,2,3-プロパントリカルボン酸
  • 1-ヒドロキシプロパン-1,2,3-トリカルボン酸
  • 1-hydroxypropane-1,2,3-tricarboxylic acid
Other name (4):
  • イソくえん酸
  • Isocitric acid
  • 1-Hydroxy-1,2,3-propanetricarboxylic acid
  • イソクエン酸
CAS registry number: 320-77-4
Regulation number (1):
  • EINECS2062823
KEGG COMPOUND: C00311
Application (2):
citric acid cycle ,  metabolite
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