In-Silico Structure Database (LMISSD)
Common Name
LacCer(d17:0/24:0(2OH[R]))
Systematic Name
N-(2R-hydroxytetracosanoyl)-1-β-lactosyl-heptadecasphinganine
LM ID
LMSP05019KN9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
977.737859
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
MPEZVKNKAGKPBA-MRSVCWBFSA-N
InChi (Click to copy)
InChI=1S/C53H103NO14/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(58)51(64)54-40(41(57)35-33-31-29-27-25-16-14-12-10-8-6-4-2)39-65-52-49(63)47(61)50(44(38-56)67-52)68-53-48(62)46(60)45(59)43(37-55)66-53/h40-50,52-53,55-63H,3-39H2,1-2H3,(H,54,64)/t40-,41+,42+,43+,44+,45-,46?,47?,48?,49?,50+,52+,53-/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)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC