CHEBI:90990 - 12,20-DiHETE

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ChEBI Name 12,20-DiHETE ChEBI ID CHEBI:90990 Definition A DiHETE that is 12-HETE carrying an additional hydroxy substituent at position 20. 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 C20H32O4 Net Charge 0 Average Mass 336.466 Monoisotopic Mass 336.23006 InChI InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/b4-2-,7-3-,12-8-,15-11+ InChIKey NUPDGIJXOAHJRW-LNESKJDXSA-N SMILES C(=C\C(C/C=C\CCCCCO)O)/C=C\C/C=C\CCCC(=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 12,20-DiHETE (CHEBI:90990) has functional parent (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447) 12,20-DiHETE (CHEBI:90990) has role human xenobiotic metabolite (CHEBI:76967) 12,20-DiHETE (CHEBI:90990) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997) 12,20-DiHETE (CHEBI:90990) is a dihydroxyicosatetraenoic acid (CHEBI:72868) 12,20-DiHETE (CHEBI:90990) is conjugate acid of 12,20-DiHETE(1−) (CHEBI:90719) Incoming 12,20-DiHETE(1−) (CHEBI:90719) is conjugate base of 12,20-DiHETE (CHEBI:90990) IUPAC Name (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid Synonyms Sources (5Z,8Z,10E,14Z)-12,20-dihydroxyicosatetraenoic acid ChEBI 12,20-dihydroxy-(5Z,8Z,10E,14Z)-icosatetraenoic acid ChEBI Manual Xref Database HMDB0060105 HMDB View more database links Registry Number Type Source 24406269 Reaxys Registry Number Reaxys Citations Types Sources 15364545 PubMed citation Europe PMC 2514663 PubMed citation Europe PMC 8652640 PubMed citation Europe PMC 9675028 PubMed citation Europe PMC Last Modified 24 January 2023