Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68646
Common Name:	D-Glucosyldihydrosphingosine
Systematic Name:	(2R,3R,4S,5S,6R)-2-(2-amino-3-hydroxy-octadecoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
RefMet Name:	D-Glucosyldihydrosphingosine
Synonyms:	D-Glucosyldihydrosphingosine; AC1L98RS [PubChem Synonyms]
Exact Mass:	463.3509 (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:	C24H49NO7
InChIKey:	FIFSBOWKHSUGDL-QXOUKQTJSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	CCCCCCCCCCCCCCCC(C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)N)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	440147
KEGG ID:	C03858
Plant Metabolite Hub(Pmhub):	MS000018106

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