Mid0073: icosasphinganine


Name
icosasphinganine
IUPAC Name
(2S,3R)-2-aminoicosane-1,3-diol
Molecular Formula
C20H43NO2
Molecular Weight
329.6
Exact Mass
329.3293796
SMILES
CCCCCCCCCCCCCCCCCC(C(CO)N)O
InChIKey
UFMHYBVQZSPWSS-VQTJNVASSA-N
InChI
InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1
Other Databases Link
CID_11616885
Structure
Classification
Alcohols
Crops containing this metabolite
sweet_potato
soy
cassava
wheat
Related MS2T Accessions