RefMet Compound Details

RefMet IDRM0135450
MW structure30487 (View MW Metabolite Database details)
RefMet namePhytosphingosine 1-phosphate
Systematic name(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass397.259327 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC18H40NO6PView other entries in RefMet with this formula
InChIInChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24
)/t16-,17+,18-/m0/s1
InChIKeyAYGOSKULTISFCW-KSZLIROESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassSphingoid bases
Sub ClassSphingoid base 1-P
Pubchem CID10883829
ChEBI ID46970
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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