In-Silico Structure Database (LMISSD)

Common Name
GlcCer(t15:0/13:0)
Systematic Name
N-(tridecanoyl)-1-β-glucosyl-4R-hydroxypentadecasphinganine
LM ID
LMISSP05019AQI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
633.481584
Formula
C34H67NO9
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)
FOUUXTWUJJSNTH-AIFFFEDRSA-N
InChi (Click to copy)
InChI=1S/C34H67NO9/c1-3-5-7-9-11-13-15-17-19-21-23-29(38)35-26(25-43-34-33(42)32(41)31(40)28(24-36)44-34)30(39)27(37)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-37,39-42H,3-25H2,1-2H3,(H,35,38)/t26-,27+,28+,30-,31+,32?,33?,34+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)[C@@H](CCCCCCCCCCC)O

References

Other Databases