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

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ChEBI Name (−)-threo-isodihomocitric acid
ChEBI ID CHEBI:72713
ChEBI ASCII Name (-)-threo-isodihomocitric acid
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C8H12O7
Net Charge 0
Average Mass 220.17670
Monoisotopic Mass 220.058
InChI InChI=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
InChIKey KVEBLTAWTCBJNF-UJURSFKZSA-N
SMILES O[C@H]([C@H](CCCC(O)=O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (−)-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 (−)-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 Sources
(−)-threo-1-hydroxy-1,2,5-pentanetricarboxylic acid SUBMITTER
(−)-threo-iso(homo)2citric acid SUBMITTER
(2R,3S)-iso(homo)2citric acid ChEBI
(2R,3S)-isodihomocitric acid ChEBI
Database Links Databases
C16597 KEGG COMPOUND
CPD-285 MetaCyc
View more database links
Registry Number Type Source
11180771 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9665716 PubMed citation SUBMITTER
Last Modified
28 July 2014