RefMet Compound Details

RefMet IDRM0135464
MW structure30509 (View MW Metabolite Database details)
RefMet name(9Me,4E,8E,10E-d19:3) Sphingosine
Systematic name9-methyl-sphinga-4E,8E,10E-trienine
SMILESCCCCCCC/C=C/C(=C/CC/C=C/[C@H]([C@H](CO)N)O)/C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition(9Me,4E,8E,10E-d19:3) Sphingosine View other entries in RefMet with this sum composition
Exact mass309.266779 (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
FormulaC19H35NO2View other entries in RefMet with this formula
InChIInChI=1S/C19H35NO2/c1-3-4-5-6-7-8-10-13-17(2)14-11-9-12-15-19(22)18(20)16-21/h10,12-15,18-19,21-22H,3-9,11,16,20H2,1-2H3/b13-10+,1
5-12+,17-14+/t18-,19+/m0/s1
InChIKeyYWSMQDAGCQEIIC-SNNCSWOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassSphingolipids
Main ClassSphingoid bases
Sub ClassSphingoid base analogs
Pubchem CID42608350
ChEBI ID137788
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo