CHEBI:165264 - 12-Oxo-Resolvin E1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 12-Oxo-Resolvin E1
ChEBI ID CHEBI:165264
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB22589642, Selleckchem:tideglusib, ZINC000013985228
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.439
Monoisotopic Mass 348.19367
InChI InChI=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
InChIKey IEJXJLXCFNXYAY-IFAPNEAUSA-N
SMILES O[C@@H](CCCC(O)=O)\C=C/C=C/C=C/C(=O)C/C=C\C=C\[C@@H](O)CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via HEPE )
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ChEBI Ontology
Outgoing 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 Xref Database
LMFA03140010 LIPID MAPS
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