Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	30662
Common Name:	Cer(d18:0/14:0)
Systematic Name:	N-(tetradecanoyl)-sphinganine
RefMet Name:	Cer 18:0;O2/14:0
Synonyms:	C14DH Cer; N-(tetradecanoyl)-dihydroceramide; N-(myristoyl)-dihydroceramide [PubChem Synonyms]
Exact Mass:	511.4964 (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:	C32H65NO3
InChIKey:	UDTSZXVRDXQARY-IOWSJCHKSA-N
LIPID MAPS Category:	Sphingolipids [SP]
LIPID MAPS mainclass:	Ceramides [SP02]
LIPID MAPS subclass:	N-acylsphinganines (dihydroceramides) [SP0202]
SMILES:	CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	10255824
LIPID MAPS ID:	LMSP02020016
CHEBI ID:	67045
HMDB ID:	HMDB0011759
Chemspider ID:	8431308

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