EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132091 - (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate

ChEBI IDCHEBI:132091
ChEBI Name(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
Stars
ASCII Name(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
DefinitionAn icosanoid anion that is the conjugate base of (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid, 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
SMILESCC[C@H](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+/m0/s1
InChIKeyJIOJPWROWDJRKM-SFHVADPASA-M
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-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate (CHEBI:132091) is a (5S)-hydroperoxy-18-hydroxy-EPE(1−) (CHEBI:90826)
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate (CHEBI:132091) is conjugate base of (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid (CHEBI:132802)
Incoming Relation(s)
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid (CHEBI:132802) is conjugate acid of (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate (CHEBI:132091)
IUPAC Name 
(5S,6E,8Z,11Z,14Z,16E,18S)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoate
Synonyms  Source
18S-hydroxy-5S-HpEPE(1−)SUBMITTER
18(S)-hydroxy-5(S)-HpEPE(1−)ChEBI
UniProt Name  Source
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoateUniProt
Citations