In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:1(4E)/33:0)
Systematic Name
N-(tritriacontanoyl)-1-β-glucosyl-4E-tetradecasphingenine
LM ID
LMSP05019AG0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
881.768369
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
ONVRSDLCIQCGNF-OEQVROPGSA-N
InChi (Click to copy)
InChI=1S/C53H103NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-49(57)54-46(47(56)42-40-38-36-34-12-10-8-6-4-2)45-61-53-52(60)51(59)50(58)48(44-55)62-53/h40,42,46-48,50-53,55-56,58-60H,3-39,41,43-45H2,1-2H3,(H,54,57)/b42-40+/t46-,47+,48+,50+,51?,52?,53+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC