CHEBI:91272 - 13-HPODE

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ChEBI Name 13-HPODE ChEBI ID CHEBI:91272 Definition An HPODE (hydroperoxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroperoxy group is at position 13. Stars This entity has been manually annotated by the ChEBI Team. 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 C18H32O4 Net Charge 0 Average Mass 312.445 Monoisotopic Mass 312.23006 InChI InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+ InChIKey JDSRHVWSAMTSSN-BSZOFBHHSA-N SMILES C(CCCCCCC/C=C\C=C\C(CCCCC)OO)(=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing 13-HPODE (CHEBI:91272) has role human xenobiotic metabolite (CHEBI:76967) 13-HPODE (CHEBI:91272) is a HPODE (CHEBI:36329) 13-HPODE (CHEBI:91272) is conjugate acid of 13-HPODE(1−) (CHEBI:90823) Incoming (13R)-HPODE (CHEBI:39573) is a 13-HPODE (CHEBI:91272) 13(S)-HPODE (CHEBI:15655) is a 13-HPODE (CHEBI:91272) 13-HPODE(1−) (CHEBI:90823) is conjugate base of 13-HPODE (CHEBI:91272) IUPAC Name (9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoic acid Synonyms Sources 13-Hpod ChemIDplus 13-hydroperoxy-(9Z,11E)-octadecadienoic acid ChEBI 13-Hydroperoxy-9,11-octadecadienoic acid ChemIDplus 13-Hydroperoxyoctadeca-cis-9,trans-11-dienoic acid ChemIDplus Registry Numbers Types Sources 23017-93-8 CAS Registry Number ChemIDplus 2334490 Reaxys Registry Number Reaxys Citations Types Sources 10542053 PubMed citation Europe PMC 23680403 PubMed citation Europe PMC 26111765 PubMed citation Europe PMC Last Modified 20 March 2017