In-Silico Structure Database (LMISSD)
Common Name
LacCer(d22:2(4E,8E)/19:0(2OH[R]))
Systematic Name
N-(2R-hydroxynonadecanoyl)-1-β-lactosyl-4E,8E-docosasphingadienine
LM ID
LMSP05019K14
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
973.706559
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
GWIVVFBBIMDOCR-SXUBGMKPSA-N
InChi (Click to copy)
InChI=1S/C53H99NO14/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-41(57)40(54-51(64)42(58)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)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/h25,27,33,35,40-50,52-53,55-63H,3-24,26,28-32,34,36-39H2,1-2H3,(H,54,64)/b27-25+,35-33+/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)CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCCCCCC