CHEBI:132083 - 18(S)-HEPE(1−)

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ChEBI Name 18(S)-HEPE(1−)
ChEBI ID CHEBI:132083
ChEBI ASCII Name 18(S)-HEPE(1-)
Definition An 18-HEPE(1−) that is the conjugate base of 18(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information ZINC000034961915
Download Molfile XML SDF
Formula C20H29O3
Net Charge -1
Average Mass 317.443
Monoisotopic Mass 317.21222
InChI InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/p-1/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1
InChIKey LRWYBGFSVUBWMO-OKIFYYRFSA-M
SMILES C(\CCCC([O-])=O)=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CC)O
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via 18-HEPE(1-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 18(S)-HEPE(1−) (CHEBI:132083) is a 18-HEPE(1−) (CHEBI:90825)
18(S)-HEPE(1−) (CHEBI:132083) is conjugate base of 18(S)-HEPE (CHEBI:132801)
18(S)-HEPE(1−) (CHEBI:132083) is enantiomer of 18(R)-HEPE(1−) (CHEBI:90818)
Incoming 18(S)-HEPE (CHEBI:132801) is conjugate acid of 18(S)-HEPE(1−) (CHEBI:132083)
18(R)-HEPE(1−) (CHEBI:90818) is enantiomer of 18(S)-HEPE(1−) (CHEBI:132083)
IUPAC Name
(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
Synonyms Sources
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate UniProt
(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoate ChEBI
Citation
Last Modified
22 July 2016