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2-methylcitric acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_30835

Term info

Label

2-methylcitric acid

Synonyms
  • 2-hydroxybutane-1,2,3-tricarboxylic acid
  • 3-C-carboxy-2,4-dideoxy-2-methylpentaric acid
database cross reference
Subsets

3_STAR

IUPAC NAME
3-C-carboxy-2,4-dideoxy-2-methylpentaric acid [ IUPAC ]

IUPAC NAME
2-hydroxybutane-1,2,3-tricarboxylic acid [ IUPAC ]

charge

0

formula

C7H10O7

has alternative id

CHEBI:19696, CHEBI:1203

has obo namespace

chebi_ontology

has related synonym

2-hydroxy-1,2,3-butanetricarboxylic acid

id

CHEBI:30835

inchi

InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)

inchikey

YNOXCRMFGMSKIJ-UHFFFAOYSA-N

mass

206.15010

monoisotopicmass

206.04265

smiles

CC(C(O)=O)C(O)(CC(O)=O)C(O)=O