In-Silico Structure Database (LMISSD)
Common Name
LacCer(d16:0/21:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheneicosanoyl)-1-β-lactosyl-hexadecasphinganine
LM ID
LMSP05019KK9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
921.675259
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
USZCUGKXMZSJRC-LUTVLCODSA-N
InChi (Click to copy)
InChI=1S/C49H95NO14/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-38(54)47(60)50-36(37(53)31-29-27-25-23-21-14-12-10-8-6-4-2)35-61-48-45(59)43(57)46(40(34-52)63-48)64-49-44(58)42(56)41(55)39(33-51)62-49/h36-46,48-49,51-59H,3-35H2,1-2H3,(H,50,60)/t36-,37+,38+,39+,40+,41-,42?,43?,44?,45?,46+,48+,49-/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCC