Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	66855
Common Name:	N-tetracosanoyl-C17-sphingosine
Systematic Name:	N-[(2S,3R,4E)-1,3-dihydroxyheptadec-4-en-2-yl]tetracosanamide
RefMet Name:	Cer 17:1;O2/24:0
Synonyms:	Cer(d17:1/24:0); N-tetracosanoyl-C17-sphing-4-enine; N-tetracosanoyl-heptadecasphingosine; N-tetracosanoylheptadecasphing-4-enine; N-tetracosanoylheptadecasphingosine [PubChem Synonyms]
Exact Mass:	635.6216 (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:	C41H81NO3
InChIKey:	OWQPALVMZWREMV-PUYNVXOJSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCC)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	71581116
CHEBI ID:	74167

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