CHEBI:52222 - (2R)-homocitric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R)-homocitric acid
ChEBI ID CHEBI:52222
ChEBI ASCII Name (2R)-homocitric acid
Definition The (R)-enantiomer of homocitric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ZINC000001532902
Download Molfile XML SDF
more structures >>
Formula C7H10O7
Net Charge 0
Average Mass 206.15010
Monoisotopic Mass 206.04265
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)/t7-/m1/s1
InChIKey XKJVEVRQMLKSMO-SSDOTTSWSA-N
SMILES OC(=O)CC[C@@](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 (2R)-homocitric acid (CHEBI:52222) is a homocitric acid (CHEBI:17852)
(2R)-homocitric acid (CHEBI:52222) is conjugate acid of (2R)-homocitrate(3−) (CHEBI:58884)
(2R)-homocitric acid (CHEBI:52222) is enantiomer of (2S)-homocitric acid (CHEBI:143966)
Incoming (2R)-homocitrate(3−) (CHEBI:58884) is conjugate base of (2R)-homocitric acid (CHEBI:52222)
(2S)-homocitric acid (CHEBI:143966) is enantiomer of (2R)-homocitric acid (CHEBI:52222)
IUPAC Name
(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid
Synonyms Sources
(R)-2-Hydroxy-1,2,4-butanetricarboxylic acid KEGG COMPOUND
(R)-2-hydroxybutane-1,2,4-tricarboxylic acid SUBMITTER
(R)-homocitric acid SUBMITTER
3-Hydroxy-3-carboxyadipic acid KEGG COMPOUND
Homocitrate KEGG COMPOUND
Homocitric acid KEGG COMPOUND
Manual Xrefs Databases
C01251 KEGG COMPOUND
HCA PDBeChem
View more database links
Last Modified
28 July 2014