RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135443
RefMet name	Sphingosine
Systematic name	Sphing-4-enine
Synonyms	PubChem Synonyms
Exact mass	299.282429 (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	C18H37NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	30474 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0 /s1
InChIKey	WWUZIQQURGPMPG-KRWOKUGFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Sphingolipids
Main Class	Sphingoid bases
Sub Class	Sphingosines
Distribution of Sphingosine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Sphingosine
External Links
Pubchem CID	5280335
LIPID MAPS	LMSP01010001
ChEBI ID	16393
KEGG ID	C00319
HMDB ID	HMDB0000252
MetaCyc ID	SPHINGOSINE
Spectral data for Sphingosine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
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

Rxn ID	KEGG Reaction	Enzyme
R01494	N-Acylsphingosine + H2O <=> Fatty acid + Sphingosine	N-Acylsphingosine amidohydrolase
R01496	Acyl-CoA + Sphingosine <=> CoA + N-Acylsphingosine	acyl-CoA:sphingosine N-acyltransferase
R01926	Sphingosine + ATP <=> Sphingosine 1-phosphate + ADP	ATP:sphingosine 1-phosphotransferase
R06521	Sphingosine 1-phosphate + H2O <=> Sphingosine + Orthophosphate	3-sn-phosphatidate phosphohydrolase

Table of KEGG human pathways containing Sphingosine

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	4