In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:1(4E)/31:0)
Systematic Name
N-(hentriacontanoyl)-1-β-glucosyl-4E-tetradecasphingenine
LM ID
LMSP05019AGY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
853.737069
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
VRCIRUYBTGAFER-NTKMKUSMSA-N
InChi (Click to copy)
InChI=1S/C51H99NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-47(55)52-44(45(54)40-38-36-34-32-12-10-8-6-4-2)43-59-51-50(58)49(57)48(56)46(42-53)60-51/h38,40,44-46,48-51,53-54,56-58H,3-37,39,41-43H2,1-2H3,(H,52,55)/b40-38+/t44-,45+,46+,48+,49?,50?,51+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC