CHEBI:17852 - homocitric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name homocitric acid
ChEBI ID CHEBI:17852
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1147, CHEBI:24609
Supplier Information
Download Molfile XML SDF
Formula C7H10O7
Net Charge 0
Average Mass 206.15010
Monoisotopic Mass 206.043
InChI InChI=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)
InChIKey XKJVEVRQMLKSMO-UHFFFAOYSA-N
SMILES OC(=O)CCC(O)(CC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing homocitric acid (CHEBI:17852) is a tricarboxylic acid (CHEBI:27093)
homocitric acid (CHEBI:17852) is conjugate acid of homocitrate(1−) (CHEBI:36459)
Incoming 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)
homocitrate(1−) (CHEBI:36459) is conjugate base of homocitric acid (CHEBI:17852)
IUPAC Name
2-hydroxybutane-1,2,4-tricarboxylic acid
Synonyms Sources
3-Hydroxy-3-carboxyadipic acid KEGG COMPOUND
Homocitric acid KEGG COMPOUND
Manual Xref Database
C01251 KEGG COMPOUND
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Registry Number Type Source
3562-74-1 CAS Registry Number ChemIDplus
Last Modified
04 September 2006