RefMet Compound Details

RefMet IDRM0135476
MW structure30527 (View MW Metabolite Database details)
RefMet nameSpisulosine
Systematic name1-deoxy-sphinganine
SMILESCCCCCCCCCCCCCCC[C@H]([C@H](C)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass285.303164 (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
FormulaC18H39NOView other entries in RefMet with this formula
InChIInChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1
InChIKeyYRYJJIXWWQLGGV-ZWKOTPCHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassSphingoid bases
Sub ClassSphingoid base analogs
Pubchem CID9925886
ChEBI ID67106
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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