Metabolomics Structure Database

 
MW REGNO: 30729
Common Name:SM(d18:0/16:0)
Systematic Name:N-(hexadecanoyl)-sphinganine-1-phosphocholine
RefMet Name:SM 18:0;O2/16:0
Synonyms:C16DH Sphingomyelin; C16 dihydrosphingomyelin [PubChem Synonyms]
Exact Mass:
704.5832 (neutral)    Calculate m/z:
Formula:C39H81N2O6P
InChIKey:QHZIGNLCLJPLCU-QPPIDDCLSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Phosphosphingolipids [SP03]
LIPID MAPS subclass:Ceramide phosphocholines (sphingomyelins) [SP0301]
MoNA MS spectra:View MS spectra
SMILES:CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:9939965
LIPID MAPS ID:LMSP03010004
CHEBI ID:78647
HMDB ID:HMDB0010168
Plant Metabolite Hub(Pmhub):MS000009066

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