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CHEBI:90990 - 12,20-DiHETE

ChEBI IDCHEBI:90990
ChEBI Name12,20-DiHETE
Stars
DefinitionA DiHETE that is 12-HETE carrying an additional hydroxy substituent at position 20.
Last Modified24 January 2023
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESO=C(O)CCC/C=C\C/C=C\C=C\C(O)C/C=C\CCCCCO
InChIInChI=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+
InChIKeyNUPDGIJXOAHJRW-LNESKJDXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (15364545)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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 dihydroxyicosatetraenoic acid (CHEBI:72868)
12,20-DiHETE (CHEBI:90990) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997)
12,20-DiHETE (CHEBI:90990) is conjugate acid of 12,20-DiHETE(1−) (CHEBI:90719)
Incoming Relation(s)
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  Source
12,20-dihydroxy-(5Z,8Z,10E,14Z)-icosatetraenoic acidChEBI
(5Z,8Z,10E,14Z)-12,20-dihydroxyicosatetraenoic acidChEBI
Manual XrefsDatabases
HMDB0060105HMDB
Registry NumbersSources
Reaxys:24406269Reaxys
Citations