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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H12O7 Net Charge 0 Average Mass 220.17670 Monoisotopic Mass 220.05830 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 ) View more via ChEBI Ontology 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 Manual Xrefs Databases C16597 KEGG COMPOUND CPD-285 MetaCyc View more database links Registry Number Type Source 11180771 Reaxys Registry Number Reaxys Citation Type Source 9665716 PubMed citation SUBMITTER Last Modified 28 July 2014