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CHEBI:90979 - 5,20-DiHETE

ChEBI IDCHEBI:90979
ChEBI Name5,20-DiHETE
Stars
DefinitionA DiHETE that is 5-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)CCCC(O)/C=C/C=C\C/C=C\C/C=C\CCCCCO
InChIInChI=1S/C20H32O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,19,21-22H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,15-12+
InChIKeyIWYJGYZCHKEPCK-DHYYJNSCSA-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)
5,20-DiHETE (CHEBI:90979) has functional parent 5-HETE (CHEBI:60943)
5,20-DiHETE (CHEBI:90979) has role human xenobiotic metabolite (CHEBI:76967)
5,20-DiHETE (CHEBI:90979) is a dihydroxyicosatetraenoic acid (CHEBI:72868)
5,20-DiHETE (CHEBI:90979) is a ω-hydroxy-long-chain fatty acid (CHEBI:140997)
5,20-DiHETE (CHEBI:90979) is conjugate acid of 5,20-DiHETE(1−) (CHEBI:90715)
Incoming Relation(s)
5,20-DiHETE(1−) (CHEBI:90715) is conjugate base of 5,20-DiHETE (CHEBI:90979)
IUPAC Name 
(6E,8Z,11Z,14Z)-5,20-dihydroxyicosa-6,8,11,14-tetraenoic acid
Synonyms  Source
(6E,8Z,11Z,14Z)-5,20-dihydroxyicosatetraenoic acidChEBI
5,20-dihydroxy-6E,8Z,11Z,14Z-icosatetraenoic acidChEBI
20-Hydroxy-5-HETEChEBI
Registry NumbersSources
Reaxys:24406270Reaxys
Citations