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CHEBI:165276 - 10,11-Dihydro-12-oxo-Resolvin E1

Default Structure
ChEBI IDCHEBI:165276
ChEBI Name10,11-Dihydro-12-oxo-Resolvin E1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC[C@H](O)/C=C/C=C\CC(=O)CC/C=C/C=C\[C@@H](O)CCCC(=O)O
InChIInChI=1S/C20H30O5/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/h3-5,7-9,11,13,17,19,21,23H,2,6,10,12,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,13-7-/t17-,19+/m0/s1
InChIKeyZVAAQQQCGCHARU-WQYJQXTLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
10,11-Dihydro-12-oxo-Resolvin E1 (CHEBI:165276) is a hydroxy fatty acid (CHEBI:24654)
10,11-Dihydro-12-oxo-Resolvin E1 (CHEBI:165276) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(5S,6Z,8E,14Z,16E,18S)-5,18-dihydroxy-12-oxoicosa-6,8,14,16-tetraenoic acid
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