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CHEBI:72722 - (−)-threo-isodihomocitrate(3−)

ChEBI IDCHEBI:72722
ChEBI Name(−)-threo-isodihomocitrate(3−)
Stars
ASCII Name(-)-threo-isodihomocitrate(3-)
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (−)-threo-isodihomocitric acid; major species at pH 7.3.
Last Modified17 August 2021
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H9O7
Net Charge-3
Average Mass217.153
Monoisotopic Mass217.03647
SMILESO=C([O-])CCC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
InChIInChI=1S/C8H12O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h4,6,11H,1-3H2,(H,9,10)(H,12,13)(H,14,15)/p-3/t4-,6+/m0/s1
InChIKeyKVEBLTAWTCBJNF-UJURSFKZSA-K
ChEBI Ontology
Outgoing Relation(s)
(−)-threo-isodihomocitrate(3−) (CHEBI:72722) is a tricarboxylic acid trianion (CHEBI:27092)
(−)-threo-isodihomocitrate(3−) (CHEBI:72722) is conjugate base of (−)-threo-isodihomocitric acid (CHEBI:72713)
Incoming Relation(s)
(−)-threo-isodihomocitric acid (CHEBI:72713) is conjugate acid of (−)-threo-isodihomocitrate(3−) (CHEBI:72722)
IUPAC Name 
(1R,2S)-1-hydroxypentane-1,2,5-tricarboxylate
Synonyms  Source
(1R,2S)-1-hydroxypentane-1,2,5-tricarboxylate(3−)SUBMITTER
(−)-threo-1-hydroxy-1,2,5-pentane-tricarboxylate(3−)SUBMITTER
(2R,3S)-iso(homo)2citrateChEBI
(2R,3S)-isodihomocitrateChEBI
UniProt Name  Source
(2R,3S)-iso(homo)2citrateUniProt
Manual XrefsDatabases
CPD-285MetaCyc