In-Silico Structure Database (LMISSD)

Systematic Name
Fucα1-2Galα1-3Galβ1-4Glcβ-Cer(d18:1/26:0)
LM ID
LMISSP0506AA06
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1293.890064
Formula
C68H127NO21
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]
Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506]

String Representations

InChiKey (Click to copy)
LRHCXCFZSQBEMG-OWJQQNGWSA-N
InChi (Click to copy)
InChI=1S/C68H127NO21/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54(75)69-48(49(73)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)46-83-65-60(81)59(80)62(53(45-72)87-65)88-67-61(82)63(57(78)52(44-71)85-67)89-68-64(58(79)56(77)51(43-70)86-68)90-66-55(76)50(74)42-47(3)84-66/h38,40,47-53,55-68,70-74,76-82H,4-37,39,41-46H2,1-3H3,(H,69,75)/b40-38+/t47?,48-,49+,50?,51?,52?,53?,55-,56-,57-,58-,59+,60?,61?,62+,63-,64?,65+,66-,67-,68?/m0/s1
SMILES (Click to copy)

References

Other Databases

PubChem CID
44261857