Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	156945
Common Name:	Cer 18:1;O2/4:0
Systematic Name:	N-(butanoyl)-sphing-4-enine
RefMet Name:	Cer 18:1;O2/4:0
Synonyms:	C4 Ceramide [PubChem Synonyms]
Exact Mass:	425.3869 (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:	C26H51NO3
InChIKey:	RNZRMNAKZBZFDZ-WSTOBVJMSA-N
LIPID MAPS Category:	Sphingolipids
LIPID MAPS mainclass:	Ceramides
LIPID MAPS subclass:	Cer
SMILES:	CCCCCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:

5702612

Calculated physicochemical properties:

No data available

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