Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	30567
Common Name:	Cer(d18:1/20:0)
Systematic Name:	N-(eicosanoyl)-sphing-4-enine
RefMet Name:	Cer 18:1;O2/20:0
Synonyms:	C20 Cer; N-(eicosanoyl)-ceramide; N-(eicosanoyl)-ceramide [PubChem Synonyms]
Exact Mass:	593.5747 (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:	C38H75NO3
InChIKey:	XWBWIAOWSABHFI-NUKVNZTCSA-N
LIPID MAPS Category:	Sphingolipids [SP]
LIPID MAPS mainclass:	Ceramides [SP02]
LIPID MAPS subclass:	N-acylsphingosines (ceramides) [SP0201]
SMILES:	CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5283566
LIPID MAPS ID:	LMSP02010007
CHEBI ID:	72962
HMDB ID:	HMDB0004951
Chemspider ID:	4446679
METLIN ID:	7204
Plant Metabolite Hub(Pmhub):	MS000015274

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