Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	30474
Common Name:	Sphingosine
Systematic Name:	Sphing-4-enine
RefMet Name:	Sphingosine
Synonyms:	Sphingosine; 4-Sphingenine; D-erythro-Sphingosine; (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol; 4-trans-Sphingenine; Sphingenine; 2S-Amino-4E-octadecene-1,3R-diol [PubChem Synonyms]
Exact Mass:	299.2824 (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:	C18H37NO2
InChIKey:	WWUZIQQURGPMPG-KRWOKUGFSA-N
LIPID MAPS Category:	Sphingolipids [SP]
LIPID MAPS mainclass:	Sphingoid bases [SP01]
LIPID MAPS subclass:	Sphing-4-enines (Sphingosines) [SP0101]
Massbank MS spectra:	View MS spectra
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5280335
LIPID MAPS ID:	LMSP01010001
CHEBI ID:	16393
HMDB ID:	HMDB0000252
KEGG ID:	C00319
BMRB ID:	bmse000850
MetaCyc ID:	SPHINGOSINE
NP-MRD ID(NMR):	NP0000714
Plant Metabolite Hub(Pmhub):	MS000000360

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