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CHEBI:90982 - 8,20-DiHETE

ChEBI IDCHEBI:90982
ChEBI Name8,20-DiHETE
Stars
DefinitionA DiHETE that is 8-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\CC(O)/C=C/C=C\C/C=C\CCCCCO
InChIInChI=1S/C20H32O4/c21-18-14-10-6-4-2-1-3-5-7-11-15-19(22)16-12-8-9-13-17-20(23)24/h1-2,5,7-8,11-12,15,19,21-22H,3-4,6,9-10,13-14,16-18H2,(H,23,24)/b2-1-,7-5-,12-8-,15-11+
InChIKeyAEHUQHOABRTKBQ-CXUYTRDMSA-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)
8,20-DiHETE (CHEBI:90982) has functional parent 8-HETE (CHEBI:72643)
8,20-DiHETE (CHEBI:90982) has role human xenobiotic metabolite (CHEBI:76967)
8,20-DiHETE (CHEBI:90982) is a dihydroxyicosatetraenoic acid (CHEBI:72868)
8,20-DiHETE (CHEBI:90982) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997)
8,20-DiHETE (CHEBI:90982) is conjugate acid of 8,20-DiHETE(1−) (CHEBI:90717)
Incoming Relation(s)
8,20-DiHETE(1−) (CHEBI:90717) is conjugate base of 8,20-DiHETE (CHEBI:90982)
IUPAC Name 
(5Z,9E,11Z,14Z)-8,20-dihydroxyicosa-5,9,11,14-tetraenoic acid
Synonyms  Source
8,20-dihydroxy-5Z,9E,11Z,14Z-icosatetraenoic acidChEBI
(5Z,9E,11Z,14Z)-8,20-dihydroxyicosatetraenoic acidChEBI
8,20-dihydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acidChEBI
Citations