RefMet Compound Details

MW structure	30476 (View MW Metabolite Database details)
RefMet name	Sphinganine
Systematic name	Sphinganine
SMILES	CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	301.298079 (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	C18H39NO2	View other entries in RefMet with this formula
InChI	InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1
InChIKey	OTKJDMGTUTTYMP-ZWKOTPCHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Sphingolipids
Main Class	Sphingoid bases
Sub Class	Sphinganines
Pubchem CID	91486
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Sphinganine

Rxn ID	KEGG Reaction	Enzyme
R06517	Acyl-CoA + Sphinganine <=> CoA + Dihydroceramide	acyl-CoA:sphingosine N-acyltransferase
R06520	Sphinganine 1-phosphate + H2O <=> Sphinganine + Orthophosphate	3-sn-phosphatidate phosphohydrolase
R02978	Sphinganine + NADP+ <=> 3-Dehydrosphinganine + NADPH + H+	Sphinganine:NADP+ 3-oxidoreductase
R02976	ATP + Sphinganine <=> ADP + Sphinganine 1-phosphate	ATP:sphinganine 1-phosphotransferase
R06518	Dihydroceramide + H2O <=> Fatty acid + Sphinganine	N-acylsphingosine amidohydrolase
R06525	Sphinganine + 2 Ferrocytochrome b5 + Oxygen + 2 H+ <=> Phytosphingosine + 2 Ferricytochrome b5 + H2O	sphinganine,ferrocytochrome b5:oxygen oxidoreductase (C4-hydroxylating)

Table of KEGG human pathways containing Sphinganine

Pathway ID	Human Pathway	# of reactions
hsa00600	Sphingolipid metabolism	6