Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	66168
Common Name:	N-decanoylsphingosine
Systematic Name:	N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]decanamide
RefMet Name:	Cer 18:1;O2/10:0
Synonyms:	Cer(d18:1/10:0); N-(decanoyl)sphing-4-enine; N-decanoylceramide; N-decanoylsphing-4-enine [PubChem Synonyms]
Exact Mass:	453.4182 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C28H55NO3
InChIKey:	FDWVAQFAMZLCAX-NBNLIBPQSA-N
LIPID MAPS Category:	Sphingolipids
LIPID MAPS mainclass:	Ceramides
LIPID MAPS subclass:	Cer
SMILES:	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCC)O
Studies:	Available studies (via RefMet name)

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PubChem CID:	5702615
CHEBI ID:	72955

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