Metabolomics Structure Database

 
MW REGNO: 506
Common Name:9-elaidic acid
Systematic Name:9E-octadecenoic acid
RefMet Name:Elaidic acid
Synonyms:trans-9-octadecenoic acid; C18:1n-9 [PubChem Synonyms]
Exact Mass:
282.2559 (neutral)    Calculate m/z:
Formula:C18H34O2
InChIKey:ZQPPMHVWECSIRJ-MDZDMXLPSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Unsaturated fatty acids [FA0103]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CCCCCCCC/C=C/CCCCCCCC(=O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:637517
LIPID MAPS ID:LMFA01030073
CHEBI ID:27997
HMDB ID:HMDB0000573
KEGG ID:C01712
BMRB ID:bmse000643
NP-MRD ID(NMR):NP0000869

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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