In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:1(8E)/37:0)
Systematic Name
N-(heptatriacontanoyl)-1-β-glucosyl-8E-tetradecasphingenine
LM ID
LMSP05019AJF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
937.830969
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
RLXIBFZOSSSAAO-BFHNDJCOSA-N
InChi (Click to copy)
InChI=1S/C57H111NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-53(61)58-50(51(60)46-44-42-40-38-12-10-8-6-4-2)49-65-57-56(64)55(63)54(62)52(48-59)66-57/h12,38,50-52,54-57,59-60,62-64H,3-11,13-37,39-49H2,1-2H3,(H,58,61)/b38-12+/t50-,51+,52+,54+,55?,56?,57+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC