Metabolomics Structure Database

 
MW REGNO: 30803
Common Name:SM(d18:2/16:0)
Systematic Name:N-(hexadecanoyl)-4E,14Z-sphingadienine-1-phosphocholine
RefMet Name:SM 18:2;O2/16:0
Synonyms: [PubChem Synonyms]
Exact Mass:
700.5519 (neutral)    Calculate m/z:
Formula:C39H77N2O6P
InChIKey:YLWSJLLZUHSIEA-CKSUKHGVSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Phosphosphingolipids [SP03]
LIPID MAPS subclass:Ceramide phosphocholines (sphingomyelins) [SP0301]
SMILES:CCC/C=CCCCCCCCC/C=C/[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:52931235
LIPID MAPS ID:LMSP03010090
CHEBI ID:136280
HMDB ID:HMDB0240638

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