Metabolomics Structure Database

 
MW REGNO: 30792
Common Name:SM(d18:0/12:0)
Systematic Name:N-(dodecanoyl)-sphinganine-1-phosphocholine
RefMet Name:SM 18:0;O2/12:0
Synonyms: [PubChem Synonyms]
Exact Mass:
648.5206 (neutral)    Calculate m/z:
Formula:C35H73N2O6P
InChIKey:AAKFURSPBCUAIO-SZAHLOSFSA-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)CCCCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:46891775
LIPID MAPS ID:LMSP03010079
CHEBI ID:176280
HMDB ID:HMDB0012084

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

  logo