In-Silico Structure Database (LMISSD)
Common Name
GlcCer(t14:0/18:2(9Z,11Z))
Systematic Name
N-(9Z,11Z-octadecadienoyl)-1-β-glucosyl-4R-hydroxytetradecasphinganine
LM ID
LMSP05019ADD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
685.512884
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
YRHRMQSWMTUWCT-ZNUDPFGZSA-N
InChi (Click to copy)
InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-33(42)39-30(29-47-38-37(46)36(45)35(44)32(28-40)48-38)34(43)31(41)26-24-22-20-12-10-8-6-4-2/h13-16,30-32,34-38,40-41,43-46H,3-12,17-29H2,1-2H3,(H,39,42)/b14-13-,16-15-/t30-,31+,32+,34-,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(CCCCCCC/C=C\C=C/CCCCCC)=O)[C@]([H])(O)[C@@H](CCCCCCCCCC)O