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CHEBI:72697 - (2R)-dihomocitrate(3−)

ChEBI IDCHEBI:72697
ChEBI Name(2R)-dihomocitrate(3−)
Stars
ASCII Name(2R)-dihomocitrate(3-)
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (R)-dihomocitric acid; major structure at pH 7.3.
Last Modified7 March 2013
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H9O7
Net Charge-3
Average Mass217.153
Monoisotopic Mass217.03647
SMILESO=C([O-])CCC[C@@](O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H12O7/c9-5(10)2-1-3-8(15,7(13)14)4-6(11)12/h15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)/p-3/t8-/m1/s1
InChIKeyLOUWLTSPEXZLSA-MRVPVSSYSA-K
ChEBI Ontology
Outgoing Relation(s)
(2R)-dihomocitrate(3−) (CHEBI:72697) is a tricarboxylic acid trianion (CHEBI:27092)
(2R)-dihomocitrate(3−) (CHEBI:72697) is conjugate base of (2R)-dihomocitric acid (CHEBI:72694)
Incoming Relation(s)
(2R)-dihomocitric acid (CHEBI:72694) is conjugate acid of (2R)-dihomocitrate(3−) (CHEBI:72697)
IUPAC Name 
(2R)-2-hydroxy-1,2,5-pentanetricarboxylate
Synonyms  Source
(R)-dihomocitrate(3−)ChEBI
dihomocitrateMetaCyc
(R)-(homo)2citrateMetaCyc
UniProt Name  Source
(R)-dihomocitrateUniProt
Manual XrefsDatabases
CPD-152MetaCyc