RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135445
RefMet name	Sphinganine
Systematic name	Sphinganine
Synonyms	PubChem Synonyms
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
Molecular descriptors
Molfile	30476 (Download molfile/View MW Metabolite Database details)
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
SMILES	CCCCCCCCCCCCCCC[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	Sphinganines
Distribution of Sphinganine 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
External Links
Pubchem CID	91486
LIPID MAPS	LMSP01020001
ChEBI ID	16566
KEGG ID	C00836
HMDB ID	HMDB0000269
Chemspider ID	82609
MetaCyc ID	CPD-13612
Spectral data for Sphinganine standards
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 Sphinganine

Rxn ID	KEGG Reaction	Enzyme
R02976	ATP + Sphinganine <=> ADP + Sphinganine 1-phosphate	ATP:sphinganine 1-phosphotransferase
R02978	Sphinganine + NADP+ <=> 3-Dehydrosphinganine + NADPH + H+	Sphinganine:NADP+ 3-oxidoreductase
R06517	Acyl-CoA + Sphinganine <=> CoA + Dihydroceramide	acyl-CoA:sphingosine N-acyltransferase
R06518	Dihydroceramide + H2O <=> Fatty acid + Sphinganine	N-acylsphingosine amidohydrolase
R06520	Sphinganine 1-phosphate + H2O <=> Sphinganine + Orthophosphate	3-sn-phosphatidate phosphohydrolase
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