In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d15:0/39:0)
Systematic Name
N-(nonatriacontanoyl)-1-β-glucosyl-pentadecasphinganine
LM ID
LMSP05019AQE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
981.893569
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
UAYHJAULNYXIMH-BUQNHPJESA-N
InChi (Click to copy)
InChI=1S/C60H119NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-56(64)61-53(52-68-60-59(67)58(66)57(65)55(51-62)69-60)54(63)49-47-45-43-41-14-12-10-8-6-4-2/h53-55,57-60,62-63,65-67H,3-52H2,1-2H3,(H,61,64)/t53-,54+,55+,57+,58?,59?,60+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC