EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72699 - (2R)-trihomocitrate(3−)

ChEBI IDCHEBI:72699
ChEBI Name(2R)-trihomocitrate(3−)
Stars
ASCII Name(2R)-trihomocitrate(3-)
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (2R)-trihomocitric acid; major species at pH 7.3.
Last Modified8 March 2013
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H11O7
Net Charge-3
Average Mass231.180
Monoisotopic Mass231.05212
SMILESO=C([O-])CCCC[C@@](O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C9H14O7/c10-6(11)3-1-2-4-9(16,8(14)15)5-7(12)13/h16H,1-5H2,(H,10,11)(H,12,13)(H,14,15)/p-3/t9-/m1/s1
InChIKeyYNPKOQYWJZNZGP-SECBINFHSA-K
ChEBI Ontology
Outgoing Relation(s)
(2R)-trihomocitrate(3−) (CHEBI:72699) is a tricarboxylic acid trianion (CHEBI:27092)
(2R)-trihomocitrate(3−) (CHEBI:72699) is conjugate base of (2R)-trihomocitric acid (CHEBI:72698)
Incoming Relation(s)
(2R)-trihomocitric acid (CHEBI:72698) is conjugate acid of (2R)-trihomocitrate(3−) (CHEBI:72699)
IUPAC Name 
(2R)-2-hydroxy-1,2,6-hexanetricarboxylate
Synonyms  Source
(2R)-(homo)3citrate(3−)MetaCyc
(R)-trihomocitrate(3−)ChEBI
UniProt Name  Source
(R)-trihomocitrateUniProt
Manual XrefsDatabases
CPD-301MetaCyc