Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	30654
Common Name:	Cer(d18:0/18:0)
Systematic Name:	N-(octadecanoyl)-sphinganine
RefMet Name:	Cer 18:0;O2/18:0
Synonyms:	C18DH Cer; N-(octadecanoyl)-dihydroceramide; N-(stearoyl)-dihydroceramide [PubChem Synonyms]
Exact Mass:	567.5590 (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:	C36H73NO3
InChIKey:	KZTJQXAANJHSCE-OIDHKYIRSA-N
LIPID MAPS Category:	Sphingolipids [SP]
LIPID MAPS mainclass:	Ceramides [SP02]
LIPID MAPS subclass:	N-acylsphinganines (dihydroceramides) [SP0202]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5283573
LIPID MAPS ID:	LMSP02020008
CHEBI ID:	67033
HMDB ID:	HMDB0011761
Chemspider ID:	4446686

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