CHEBI:165276 - 10,11-Dihydro-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 10,11-Dihydro-12-oxo-Resolvin E1
ChEBI ID CHEBI:165276
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000038214815
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=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
InChIKey ZVAAQQQCGCHARU-WQYJQXTLSA-N
SMILES O[C@@H](CCCC(O)=O)/C=C\C=C\CCC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
LMFA03140002 LIPID MAPS
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