In-Silico Structure Database (LMISSD)
Common Name
GalCer(t21:0/34:0)
Systematic Name
N-(tetratriacontanoyl)-1-β-galactosyl-4R-hydroxyheneicosasphinganine
LM ID
LMSP05019F1M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1011.904134
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
MWFHNFJMWOIBHR-OWNZUMQTSA-N
InChi (Click to copy)
InChI=1S/C61H121NO9/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-56(65)62-53(52-70-61-60(69)59(68)58(67)55(51-63)71-61)57(66)54(64)49-47-45-43-41-39-37-35-18-16-14-12-10-8-6-4-2/h53-55,57-61,63-64,66-69H,3-52H2,1-2H3,(H,62,65)/t53-,54+,55+,57-,58-,59?,60?,61+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@@H](CCCCCCCCCCCCCCCCC)O