Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	30496
Common Name:	N,N-dimethylsphingosine
Systematic Name:	N,N-dimethylsphing-4-enine
RefMet Name:	N,N-Dimethylsphingosine
Synonyms:	[PubChem Synonyms]
Exact Mass:	327.3137 (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:	C20H41NO2
InChIKey:	YRXOQXUDKDCXME-YIVRLKKSSA-N
LIPID MAPS Category:	Sphingolipids [SP]
LIPID MAPS mainclass:	Sphingoid bases [SP01]
LIPID MAPS subclass:	N-methylated sphingoid bases [SP0107]
SMILES:	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N(C)C)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5282309
LIPID MAPS ID:	LMSP01070001
CHEBI ID:	78759
HMDB ID:	HMDB0013645
KEGG ID:	C13914
Chemspider ID:	4445480
Plant Metabolite Hub(Pmhub):	MS000003093

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