RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138834
RefMet name	Sphingosine 1-phosphate
Systematic name	Sphing-4-enine-1-phosphate
Synonyms	PubChem Synonyms
Exact mass	379.248762 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C18H38NO5P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	30485 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22 ,23)/b15-14+/t17-,18+/m0/s1
InChIKey	DUYSYHSSBDVJSM-KRWOKUGFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Sphingoid bases
Sub Class	Sphingoid base 1-P
Distribution of Sphingosine 1-phosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Sphingosine 1-phosphate
External Links
Pubchem CID	5283560
LIPID MAPS	LMSP01050001
ChEBI ID	37550
KEGG ID	C06124
HMDB ID	HMDB0000277
Spectral data for Sphingosine 1-phosphate standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Sphingosine 1-phosphate

Rxn ID	KEGG Reaction	Enzyme
R01926	Sphingosine + ATP <=> Sphingosine 1-phosphate + ADP	ATP:sphingosine 1-phosphotransferase
R06516	Sphingosine 1-phosphate <=> Ethanolamine phosphate + Hexadecenal	sphingosine-1-phosphate palmitaldehyde-lyase (phosphoethanolamine-forming)
R06521	Sphingosine 1-phosphate + H2O <=> Sphingosine + Orthophosphate	3-sn-phosphatidate phosphohydrolase

Table of KEGG human pathways containing Sphingosine 1-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	3