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CHEBI:91001 - 18-oxoresolvin E1(1−)

ChEBI IDCHEBI:91001
ChEBI Name18-oxoresolvin E1(1−)
Stars
ASCII Name18-oxoresolvin E1(1-)
DefinitionAn icosanoid anion resulting from the removal of a proton from the carboxy group of 18-oxoresolvin E1; major species at pH 7.3.
Last Modified30 March 2016
Submitternhn
DownloadsMolfile
FormulaC20H27O5
Net Charge-1
Average Mass347.431
Monoisotopic Mass347.18640
SMILESCCC(=O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]
InChIInChI=1S/C20H28O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,18-19,22-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t18-,19+/m0/s1
InChIKeyCMOJNYRANQREGD-IJDHQMKWSA-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)
18-oxoresolvin E1(1−) (CHEBI:91001) has role human xenobiotic metabolite (CHEBI:76967)
18-oxoresolvin E1(1−) (CHEBI:91001) is a hydroxy fatty acid anion (CHEBI:59835)
18-oxoresolvin E1(1−) (CHEBI:91001) is a icosanoid anion (CHEBI:62937)
18-oxoresolvin E1(1−) (CHEBI:91001) is a long-chain fatty acid anion (CHEBI:57560)
18-oxoresolvin E1(1−) (CHEBI:91001) is a oxo fatty acid anion (CHEBI:59836)
18-oxoresolvin E1(1−) (CHEBI:91001) is a polyunsaturated fatty acid anion (CHEBI:76567)
18-oxoresolvin E1(1−) (CHEBI:91001) is conjugate base of 18-oxoresolvin E1 (CHEBI:131617)
Incoming Relation(s)
18-oxoresolvin E1 (CHEBI:131617) is conjugate acid of 18-oxoresolvin E1(1−) (CHEBI:91001)
IUPAC Name 
(5S,6Z,8E,10E,12R,14Z,16E)-5,12-dihydroxy-18-oxoicosa-6,8,10,14,16-pentaenoate
Synonyms  Source
18-oxo-5S,12R-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoateSUBMITTER
18-oxo-resolvin E1(1−)SUBMITTER
18-oxo-RvE1(1−)SUBMITTER
UniProt Name  Source
18-oxo-resolvin E1UniProt
Citations