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CHEBI:52222 - (2R)-homocitric acid

ChEBI IDCHEBI:52222
ChEBI Name(2R)-homocitric acid
Stars
ASCII Name(2R)-homocitric acid
DefinitionThe (R)-enantiomer of homocitric acid.
Last Modified28 July 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H10O7
Net Charge0
Average Mass206.150
Monoisotopic Mass206.04265
SMILESO=C(O)CC[C@@](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)/t7-/m1/s1
InChIKeyXKJVEVRQMLKSMO-SSDOTTSWSA-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)
(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 Relation(s)
(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  Source
(R)-homocitric acidSUBMITTER
(R)-2-hydroxybutane-1,2,4-tricarboxylic acidSUBMITTER
HomocitrateKEGG COMPOUND
3-Hydroxy-3-carboxyadipic acidKEGG COMPOUND
Homocitric acidKEGG COMPOUND
(R)-2-Hydroxy-1,2,4-butanetricarboxylic acidKEGG COMPOUND
Manual XrefsDatabases
C01251KEGG COMPOUND
HCAPDBeChem