Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	30491
Common Name:	C17 Sphingosine-1-phosphate
Systematic Name:	heptadecasphing-4-enine-1-phosphate
RefMet Name:	C17 Sphingosine 1-phosphate
Synonyms:	(2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate [PubChem Synonyms]
Exact Mass:	365.2331 (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:	C17H36NO5P
InChIKey:	VITGNIYTXHNNNE-LHMZYYNSSA-N
LIPID MAPS Category:	Sphingolipids [SP]
LIPID MAPS mainclass:	Sphingoid bases [SP01]
LIPID MAPS subclass:	Sphingoid base 1-phosphates [SP0105]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=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:	5283559
LIPID MAPS ID:	LMSP01050007

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