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

ChEBI IDCHEBI:90826
ChEBI Name(5S)-hydroperoxy-18-hydroxy-EPE(1−)
Stars
ASCII Name(5S)-hydroperoxy-18-hydroxy-EPE(1-)
DefinitionAn 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.
Last Modified18 February 2022
Submitternhn
DownloadsMolfile
FormulaC20H29O5
Net Charge-1
Average Mass349.447
Monoisotopic Mass349.20205
SMILESCCC(O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)[O-])OO
InChIInChI=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
InChIKeyJIOJPWROWDJRKM-PJNQMQIHSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (17114001)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoateSUBMITTER
(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoateChEBI
(5S,6E,8Z,11Z,14Z,16E)-5-hydroperoxy-18-hydroxyicosapentaenoateChEBI
UniProt Name  Source
(5S)-hydroperoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoateUniProt
Citations