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CHEBI:131617 - 18-oxoresolvin E1

ChEBI IDCHEBI:131617
ChEBI Name18-oxoresolvin E1
Stars
DefinitionA nonclassic icosanoid that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid carrying two hydroxy groups at positions 5 and 12 as well as an oxo group at position 18.
Last Modified5 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
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)/b4-3+,9-5-,11-8+,12-6+,13-7-/t18-,19+/m0/s1
InChIKeyCMOJNYRANQREGD-IJDHQMKWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (16757471)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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 (CHEBI:131617) has role human xenobiotic metabolite (CHEBI:76967)
18-oxoresolvin E1 (CHEBI:131617) is a enone (CHEBI:51689)
18-oxoresolvin E1 (CHEBI:131617) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
18-oxoresolvin E1 (CHEBI:131617) is a long-chain fatty acid (CHEBI:15904)
18-oxoresolvin E1 (CHEBI:131617) is a nonclassic icosanoid (CHEBI:61703)
18-oxoresolvin E1 (CHEBI:131617) is a oxo fatty acid (CHEBI:59644)
18-oxoresolvin E1 (CHEBI:131617) is conjugate acid of 18-oxoresolvin E1(1−) (CHEBI:91001)
Incoming Relation(s)
18-oxoresolvin E1(1−) (CHEBI:91001) is conjugate base of 18-oxoresolvin E1 (CHEBI:131617)
IUPAC Name 
(5S,6Z,8E,10E,12R,14Z,16E)-5,12-dihydroxy-18-oxoicosa-6,8,10,14,16-pentaenoic acid
Synonyms  Source
18-oxo-5S,12R-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acidLIPID MAPS
18-oxo-Resolvin E1LIPID MAPS
18-oxo-RvE1LIPID MAPS
Manual XrefsDatabases
LMFA03070044LIPID MAPS
Citations