Metabolomics Structure Database

 
MW REGNO: 30727
Common Name:SM(d18:1/12:0)
Systematic Name:N-(dodecanoyl)-sphing-4-enine-1-phosphocholine
RefMet Name:SM 18:1;O2/12:0
Synonyms:N-lauroyl-D-erythro-Sphingosylphosphoryl choline [PubChem Synonyms]
Exact Mass:
646.5050 (neutral)    Calculate m/z:
Formula:C35H71N2O6P
InChIKey:HZCLJRFPXMKWHR-FEBLJDHQSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Phosphosphingolipids [SP03]
LIPID MAPS subclass:Ceramide phosphocholines (sphingomyelins) [SP0301]
SMILES:C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](NC(=O)CCCCCCCCCCC)[C@@H](O)/C=C/CCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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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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