Metabolomics Structure Database

 
MW REGNO: 2073
Common Name:9R-HODE
Systematic Name:9R-hydroxy-10E,12Z-octadecadienoic acid
RefMet Name:9R-HODE
Synonyms: [PubChem Synonyms]
Exact Mass:
296.2351 (neutral)    Calculate m/z:
Formula:C18H32O3
InChIKey:NPDSHTNEKLQQIJ-WXUVIADPSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Octadecanoids [FA02]
LIPID MAPS subclass:Other Octadecanoids [FA0200]
SMILES:CCCCC/C=CC=C[C@@H](CCCCCCCC(=O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:16061059
LIPID MAPS ID:LMFA02000036
CHEBI ID:78730
KEGG ID:C14767
Plant Metabolite Hub(Pmhub):MS000008769

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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