CHEBI:90826 - (5S)-hydroperoxy-18-hydroxy-EPE(1−)

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ChEBI Name (5S)-hydroperoxy-18-hydroxy-EPE(1−)
ChEBI ID CHEBI:90826
ChEBI ASCII Name (5S)-hydroperoxy-18-hydroxy-EPE(1-)
Definition An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-18-hydroxy-EPE, 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
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Formula C20H29O5
Net Charge -1
Average Mass 349.442
Monoisotopic Mass 349.20205
InChI InChI=1S/C20H30O5/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(25-24)16-13-17-20(22)23/h3-4,7-12,14-15,18-19,21,24H,2,5-6,13,16-17H2,1H3,(H,22,23)/p-1/b4-3-,9-7-,10-8-,14-11+,15-12+/t18?,19-/m1/s1
InChIKey JIOJPWROWDJRKM-PJNQMQIHSA-M
SMILES C(CC)(/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)[O-])OO)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing (5S)-hydroperoxy-18-hydroxy-EPE(1−) (CHEBI:90826) has role human xenobiotic metabolite (CHEBI:76967)
(5S)-hydroperoxy-18-hydroxy-EPE(1−) (CHEBI:90826) is a hydroperoxy(hydroxy)icosapentaenoate (CHEBI:133653)
(5S)-hydroperoxy-18-hydroxy-EPE(1−) (CHEBI:90826) is conjugate base of (5S)-hydroperoxy-18-hydroxy-EPE (CHEBI:91287)
Incoming (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate (CHEBI:132091) is a (5S)-hydroperoxy-18-hydroxy-EPE(1−) (CHEBI:90826)
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate (CHEBI:132218) is a (5S)-hydroperoxy-18-hydroxy-EPE(1−) (CHEBI:90826)
(5S)-hydroperoxy-18-hydroxy-EPE (CHEBI:91287) is conjugate acid of (5S)-hydroperoxy-18-hydroxy-EPE(1−) (CHEBI:90826)
IUPAC Name
(5S,6E,8Z,11Z,14Z,16E)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoate
Synonyms Sources
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate SUBMITTER
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate ChEBI
(5S)-hydroperoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate UniProt
(5S,6E,8Z,11Z,14Z,16E)-5-hydroperoxy-18-hydroxyicosapentaenoate ChEBI
Citation Waiting for Citations Type Source
17114001 PubMed citation SUBMITTER
Last Modified
18 February 2022