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CHEBI:88349 - 17,18-DiHETE

ChEBI IDCHEBI:88349
ChEBI Name17,18-DiHETE
Stars
DefinitionA DiHETE consisting of arachidonic acid having the two hydroxy substituents located at position 17 and 18.
Last Modified7 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCC(O)C(O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-
InChIKeyXYDVGNAQQFWZEF-JPURVOHMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS253)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
17,18-DiHETE (CHEBI:88349) has functional parent arachidonic acid (CHEBI:15843)
17,18-DiHETE (CHEBI:88349) has role human blood serum metabolite (CHEBI:85234)
17,18-DiHETE (CHEBI:88349) has role human xenobiotic metabolite (CHEBI:76967)
17,18-DiHETE (CHEBI:88349) is a dihydroxyicosatetraenoic acid (CHEBI:72868)
IUPAC Name 
(5Z,8Z,11Z,14Z)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms  Source
(5Z,8Z,11Z,14Z)-17,18-dihydroxyeicosa-5,8,11,14-tetraenoic acidChEBI
(5Z,8Z,11Z,14Z)-17,18-dihydroxyeicosatetraenoic acidChEBI
(5Z,8Z,11Z,14Z)-17,18-dihydroxyicosatetraenoic acidChEBI
17,18-dihydroxyarachidonic acidChEBI
Manual XrefsDatabases
17220803ChemSpider
LMFA03060078LIPID MAPS
HMDB0010211HMDB
Registry NumbersSources
Reaxys:5345124Reaxys
Citations