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CHEBI:138136 - 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid

ChEBI IDCHEBI:138136
ChEBI Name13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid
Stars
ASCII Name13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid
DefinitionA 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid in which the chiral centres at positions 14 and 15 have R- and S-configuration respectively while that at position 13 remains unspecified.
Last Modified10 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC[C@@H]1O[C@@H]1C(O)/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(22)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,14-12-/t17?,18-,20+/m0/s1
InChIKeyFMRVHRPEVIVXKX-XHTADQAHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (8555216)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138136) has role human metabolite (CHEBI:77746)
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138136) is a 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138146)
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138136) is conjugate acid of 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1−) (CHEBI:137324)
Incoming Relation(s)
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1−) (CHEBI:137324) is conjugate base of 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid (CHEBI:138136)
IUPAC Name 
(5Z,8Z,11Z)-13-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid
Synonym  Source
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-eicosatrienoic acidChEBI
Citations