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CHEBI:17852 - homocitric acid

ChEBI IDCHEBI:17852
ChEBI Namehomocitric acid
Stars
Secondary ChEBI IDsCHEBI:1147, CHEBI:24609
Last Modified3 September 2006
DownloadsMolfile
FormulaC7H10O7
Net Charge0
Average Mass206.150
Monoisotopic Mass206.04265
SMILESO=C(O)CCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyXKJVEVRQMLKSMO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
homocitric acid (CHEBI:17852) is a tricarboxylic acid (CHEBI:27093)
homocitric acid (CHEBI:17852) is conjugate acid of homocitrate(1−) (CHEBI:36459)
Incoming Relation(s)
2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid (CHEBI:17250) has functional parent homocitric acid (CHEBI:17852)
(2R)-homocitric acid (CHEBI:52222) is a homocitric acid (CHEBI:17852)
(2S)-homocitric acid (CHEBI:143966) is a homocitric acid (CHEBI:17852)
homocitrate(1−) (CHEBI:36459) is conjugate base of homocitric acid (CHEBI:17852)
IUPAC Name 
2-hydroxybutane-1,2,4-tricarboxylic acid
Synonyms  Source
Homocitric acidKEGG COMPOUND
3-Hydroxy-3-carboxyadipic acidKEGG COMPOUND
Manual XrefsDatabases
C01251KEGG COMPOUND
Registry NumbersSources
CAS:3562-74-1ChemIDplus