In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:1(4E)/32:0)
Systematic Name
N-(dotriacontanoyl)-1-β-glucosyl-4E-tetradecasphingenine
LM ID
LMSP05019AGZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
867.752719
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
NGSYODLKPATPLE-GPRXMEBKSA-N
InChi (Click to copy)
InChI=1S/C52H101NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-48(56)53-45(46(55)41-39-37-35-33-12-10-8-6-4-2)44-60-52-51(59)50(58)49(57)47(43-54)61-52/h39,41,45-47,49-52,54-55,57-59H,3-38,40,42-44H2,1-2H3,(H,53,56)/b41-39+/t45-,46+,47+,49+,50?,51?,52+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC