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 No supplier information found for this compound.
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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.
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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
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Registry Number Type Source
24406269 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
24 January 2023