RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135449
RefMet name	Sphinganine 1-phosphate
Systematic name	Sphinganine-1-phosphate
Synonyms	PubChem Synonyms
Exact mass	381.264412 (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	C18H40NO5P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	30486 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H40NO5P/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/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17- ,18+/m0/s1
InChIKey	YHEDRJPUIRMZMP-ZWKOTPCHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCCCCCCCCCCC[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 Sphinganine 1-phosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Sphinganine 1-phosphate
External Links
Pubchem CID	644260
LIPID MAPS	LMSP01050002
ChEBI ID	16893
KEGG ID	C01120
HMDB ID	HMDB0001383
Chemspider ID	559277
MetaCyc ID	CPD-649
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 Sphinganine 1-phosphate

Rxn ID	KEGG Reaction	Enzyme
R02464	Sphinganine 1-phosphate <=> Ethanolamine phosphate + Hexadecanal	Sphinganine-1-phosphate pamlmitaldehyde-lyase
R02976	ATP + Sphinganine <=> ADP + Sphinganine 1-phosphate	ATP:sphinganine 1-phosphotransferase
R06520	Sphinganine 1-phosphate + H2O <=> Sphinganine + Orthophosphate	3-sn-phosphatidate phosphohydrolase

Table of KEGG human pathways containing Sphinganine 1-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	3