CHEBI:165254 - 7R-Maresin 1

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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 7R-Maresin 1
ChEBI ID CHEBI:165254
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000015111010
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.494
Monoisotopic Mass 360.23006
InChI InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11+,17-12+/t20-,21-/m0/s1
InChIKey HLHYXXBCQOUTGK-LUSCUACYSA-N
SMILES O[C@H](C/C=C\CCC(O)=O)/C=C/C=C/C=C/[C@@H](O)C/C=C\C/C=C\CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 7R-Maresin 1 (CHEBI:165254) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name
(4Z,7R,8E,10E,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
Manual Xref Database
LMFA04050001 LIPID MAPS
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