Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	30565
Common Name:	Cer(d18:1/16:0)
Systematic Name:	N-(hexadecanoyl)-sphing-4-enine
RefMet Name:	Cer 18:1;O2/16:0
Synonyms:	C16 Cer; N-(hexadecanoyl)-ceramide; N-(palmitoyl)-ceramide; N-palmitoyl-sphingosine [PubChem Synonyms]
Exact Mass:	537.5121 (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:	C34H67NO3
InChIKey:	YDNKGFDKKRUKPY-TURZORIXSA-N
LIPID MAPS Category:	Sphingolipids [SP]
LIPID MAPS mainclass:	Ceramides [SP02]
LIPID MAPS subclass:	N-acylsphingosines (ceramides) [SP0201]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5283564
LIPID MAPS ID:	LMSP02010004
CHEBI ID:	72959
HMDB ID:	HMDB0004949
Chemspider ID:	4446677
METLIN ID:	7202
MetaCyc ID:	CPD66-41
Marine Natural Products DB:	CMNPD7711

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