In-Silico Structure Database (LMISSD)
Common Name
LacCer(d17:1(8E)/17:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheptadecanoyl)-1-β-lactosyl-4E-heptadecasphingenine
LM ID
LMSP05019KO8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
877.612659
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
BBFAGQHMNXZLPI-VFIUYMNGSA-N
InChi (Click to copy)
InChI=1S/C46H87NO14/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(51)44(57)47-33(34(50)28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-45-42(56)40(54)43(37(31-49)60-45)61-46-41(55)39(53)38(52)36(30-48)59-46/h18,20,33-43,45-46,48-56H,3-17,19,21-32H2,1-2H3,(H,47,57)/b20-18+/t33-,34+,35+,36+,37+,38-,39?,40?,41?,42?,43+,45+,46-/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)CCCC/C=C/CCCCCCCC