Metabolomics Structure Database

 
MW REGNO: 30760
Common Name:SM(d18:0/17:0)
Systematic Name:N-(heptadecanoyl)-sphinganine-1-phosphocholine
RefMet Name:SM 18:0;O2/17:0
Synonyms: [PubChem Synonyms]
Exact Mass:
718.5989 (neutral)    Calculate m/z:
Formula:C40H83N2O6P
InChIKey:GKFSHMJHEJYCCJ-ZESVVUHVSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Phosphosphingolipids [SP03]
LIPID MAPS subclass:Ceramide phosphocholines (sphingomyelins) [SP0301]
SMILES:CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](CCCCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:52931153
LIPID MAPS ID:LMSP03010046
CHEBI ID:84504

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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