In-Silico Structure Database (LMISSD)

Common Name
GalCer(d14:1(8E)/13:0(2OH[R]))
Systematic Name
N-(2R-hydroxydodecanoyl)-1-β-galactosyl-8E-tetradecasphingenine
LM ID
LMSP05019JS1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
617.450284
Formula
C33H63NO9
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]

String Representations

InChiKey (Click to copy)
QSJYBHVBMXZQFV-KGVZBOETSA-N
InChi (Click to copy)
InChI=1S/C33H63NO9/c1-3-5-7-9-11-13-15-17-19-21-26(36)25(24-42-33-31(40)30(39)29(38)28(23-35)43-33)34-32(41)27(37)22-20-18-16-14-12-10-8-6-4-2/h11,13,25-31,33,35-40H,3-10,12,14-24H2,1-2H3,(H,34,41)/b13-11+/t25-,26+,27+,28+,29-,30?,31?,33+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC

References

Other Databases