In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d15:1(4E)/19:0(2OH[R]))
Systematic Name
N-(2R-hydroxynonadecanoyl)-1-β-glucosyl-4E-pentadecasphingenine
LM ID
LMSP05019I77
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
715.559834
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
KXGUXBDLRCTBPU-WDEMARKUSA-N
InChi (Click to copy)
InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(44)39(48)41-32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)33(43)28-26-24-22-20-14-12-10-8-6-4-2/h26,28,32-38,40,42-47H,3-25,27,29-31H2,1-2H3,(H,41,48)/b28-26+/t32-,33+,34+,35+,36+,37?,38?,40+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC