Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	167181
Common Name:	C16-0(Palmitoyl)ceramide
Systematic Name:	N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]hexadecanamide
Synonyms:	[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-ORIPQNMZSA-N
ClassyFire superclass:	Lipids and lipid-like molecules
ClassyFire class:	Sphingolipids
ClassyFire subclass:	Ceramides
ClassyFire direct parent:	Long-chain ceramides
SMILES:	CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCCCCCCCCCCCC)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5353456
Marine Natural Products DB:	CMNPD378

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