In-Silico Structure Database (LMISSD)
Common Name
LacCer(d17:1(8E)/14:0(2OH[R]))
Systematic Name
N-(2R-hydroxytetradecanoyl)-1-β-lactosyl-4E-heptadecasphingenine
LM ID
LMSP05019KO5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
835.565709
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
OPOYGKAWHXVXIA-ULKJPJAASA-N
InChi (Click to copy)
InChI=1S/C43H81NO14/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-31(47)30(44-41(54)32(48)26-24-22-20-17-14-12-10-8-6-4-2)29-55-42-39(53)37(51)40(34(28-46)57-42)58-43-38(52)36(50)35(49)33(27-45)56-43/h16,18,30-40,42-43,45-53H,3-15,17,19-29H2,1-2H3,(H,44,54)/b18-16+/t30-,31+,32+,33+,34+,35-,36?,37?,38?,39?,40+,42+,43-/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)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCC