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CHEBI:138149 - 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid

ChEBI IDCHEBI:138149
ChEBI Name11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid
Stars
ASCII Name11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid
DefinitionAn epoxy(hydroxy)icosatrienoic acid that is (5Z,8Z,12E)-icosatrienoic acid having the epoxide group across positions 14-15 and the hydroxy substituent located at position 11.
Last Modified10 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC[C@@H]1O[C@@H]1/C=C/C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17?,18-,19+/m0/s1
InChIKeyWLMZMBKVRPUYIG-OSPXAYQASA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (8555216)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid (CHEBI:138149) has role rat metabolite (CHEBI:86264)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid (CHEBI:138149) is a epoxy(hydroxy)icosatrienoic acid (CHEBI:138138)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid (CHEBI:138149) is a secondary allylic alcohol (CHEBI:134396)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid (CHEBI:138149) is conjugate acid of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate (CHEBI:137362)
Incoming Relation(s)
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate (CHEBI:137362) is conjugate base of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid (CHEBI:138149)
IUPAC Name 
(5Z,8Z,12E)-11-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoic acid
Synonyms  Source
11-H-14,15-EETAChEBI
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-eicosatrienoic acidChEBI
Citations