CHEBI:165268 - 19-Hydroxy-Resolvin E1

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ChEBI Name 19-Hydroxy-Resolvin E1
ChEBI ID CHEBI:165268
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000030729497
Download Molfile XML SDF
Formula C20H30O6
Net Charge 0
Average Mass 366.454
Monoisotopic Mass 366.20424
InChI InChI=1S/C20H30O6/c1-16(21)19(24)14-8-4-7-12-17(22)10-5-2-3-6-11-18(23)13-9-15-20(25)26/h2-8,10-11,14,16-19,21-24H,9,12-13,15H2,1H3,(H,25,26)/b3-2+,7-4-,10-5+,11-6-,14-8+/t16?,17-,18+,19+/m0/s1
InChIKey BSRCJEQUGISTPZ-ZSPCSQLQSA-N
SMILES O[C@@H](CCCC(O)=O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)C(O)C
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 19-Hydroxy-Resolvin E1 (CHEBI:165268) is a HEPE (CHEBI:72799)
IUPAC Name
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18,19-tetrahydroxyicosa-6,8,10,14,16-pentaenoic acid
Manual Xref Database
LMFA03140005 LIPID MAPS
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