EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165264 - 12-Oxo-Resolvin E1

ChEBI IDCHEBI:165264
ChEBI Name12-Oxo-Resolvin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILESCC[C@H](O)/C=C/C=C\CC(=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/h3-9,11-13,17,19,21,23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,19+/m0/s1
InChIKeyIEJXJLXCFNXYAY-IFAPNEAUSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12-Oxo-Resolvin E1 (CHEBI:165264) is a HEPE (CHEBI:72799)
IUPAC Name 
(5S,6Z,8E,10E,14Z,16E,18S)-5,18-dihydroxy-12-oxoicosa-6,8,10,14,16-pentaenoic acid
Manual XrefsDatabases
LMFA03140010LIPID MAPS