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CHEBI:72713 - (−)-threo-isodihomocitric acid

ChEBI IDCHEBI:72713
ChEBI Name(−)-threo-isodihomocitric acid
Stars
ASCII Name(-)-threo-isodihomocitric acid
DefinitionA tricarboxylic acid that is pimelic acid carrying an additional carboxy substituent at position 3 as well as a hydroxy substituent at position 2 (the 2R,3S-diastereomer).
Last Modified9 July 2025
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H12O7
Net Charge0
Average Mass220.177
Monoisotopic Mass220.05830
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)/t4-,6+/m0/s1
InChIKeyKVEBLTAWTCBJNF-UJURSFKZSA-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)
(−)-threo-isodihomocitric acid (CHEBI:72713) is a secondary alcohol (CHEBI:35681)
(−)-threo-isodihomocitric acid (CHEBI:72713) is a tricarboxylic acid (CHEBI:27093)
(−)-threo-isodihomocitric acid (CHEBI:72713) is conjugate acid of (−)-threo-isodihomocitrate(3−) (CHEBI:72722)
Incoming Relation(s)
(−)-threo-isodihomocitrate(3−) (CHEBI:72722) is conjugate base of (−)-threo-isodihomocitric acid (CHEBI:72713)
IUPAC Name 
(1R,2S)-1-hydroxypentane-1,2,5-tricarboxylic acid
Synonyms  Source
(−)-threo-1-hydroxy-1,2,5-pentanetricarboxylic acidSUBMITTER
(−)-threo-iso(homo)2citric acidSUBMITTER
(2R,3S)-iso(homo)2citric acidChEBI
(2R,3S)-isodihomocitric acidChEBI
Manual XrefsDatabases
CPD-285MetaCyc
C16597KEGG COMPOUND
Registry NumbersSources
Reaxys:11180771Reaxys
CAS:928169-55-5ChEBI
Citations