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CHEBI:132808 - (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid

ChEBI IDCHEBI:132808
ChEBI Name(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid
Stars
ASCII Name(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid
DefinitionA hydroperoxy fatty acid that is (14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid in which the hydroperoxy group is located at position 8S.
Last Modified21 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCC[C@H]1O[C@H]1C/C=C\C=C\[C@H](C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H32O5/c1-2-3-7-14-18-19(24-18)15-10-6-9-13-17(25-23)12-8-4-5-11-16-20(21)22/h4,6,8-10,13,17-19,23H,2-3,5,7,11-12,14-16H2,1H3,(H,21,22)/b8-4-,10-6-,13-9+/t17-,18+,19-/m0/s1
InChIKeyLUBTVGBPYONJJZ-ZYWZSPIWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (25293588)
Homo sapiens (ncbitaxon:9606) - PubMed (25293588)
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.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid (CHEBI:132808) has role human xenobiotic metabolite (CHEBI:76967)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid (CHEBI:132808) has role mouse metabolite (CHEBI:75771)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid (CHEBI:132808) is a hydroperoxy(epoxy)icosatrienoic acid (CHEBI:134641)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid (CHEBI:132808) is conjugate acid of (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate (CHEBI:132068)
Incoming Relation(s)
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoate (CHEBI:132068) is conjugate base of (8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-icosatrienoic acid (CHEBI:132808)
IUPAC Name 
(5Z,8S,9E,11Z)-8-hydroperoxy-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,9,11-trienoic acid
Synonyms  Source
(8S)-hydroperoxy-(14S,15R)-EETChEBI
(8S)-hydroperoxy-(14S,15R)-epoxy-(5Z,9E,11Z)-eicosatrienoic acidChEBI
Citations