In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:1(8E)/18:2(2E,4E))
Systematic Name
N-(2E,4E-octadecadienoyl)-1-β-glucosyl-8E-tetradecasphingenine
LM ID
LMSP05019AHV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
667.502319
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
ZDYOXDXEAYZYMK-QKDASEPKSA-N
InChi (Click to copy)
InChI=1S/C38H69NO8/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(42)39-31(32(41)27-25-23-21-19-12-10-8-6-4-2)30-46-38-37(45)36(44)35(43)33(29-40)47-38/h12,19,22,24,26,28,31-33,35-38,40-41,43-45H,3-11,13-18,20-21,23,25,27,29-30H2,1-2H3,(H,39,42)/b19-12+,24-22+,28-26+/t31-,32+,33+,35+,36?,37?,38+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(/C=C/C=C/CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC