In-Silico Structure Database (LMISSD)
Common Name
LacCer(d22:0/17:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheptadecanoyl)-1-β-lactosyl-docosasphinganine
LM ID
LMSP05019K0B
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
949.706559
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
GQCOSSDVWIEIQC-WNQSVLLZSA-N
InChi (Click to copy)
InChI=1S/C51H99NO14/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-39(55)38(52-49(62)40(56)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)37-63-50-47(61)45(59)48(42(36-54)65-50)66-51-46(60)44(58)43(57)41(35-53)64-51/h38-48,50-51,53-61H,3-37H2,1-2H3,(H,52,62)/t38-,39+,40+,41+,42+,43-,44?,45?,46?,47?,48+,50+,51-/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)CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCCC