In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d15:0/37:0)
Systematic Name
N-(heptatriacontanoyl)-1-β-glucosyl-pentadecasphinganine
LM ID
LMSP05019AQC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
953.862269
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
BVEQOHGBECXPIE-WBKQEYNOSA-N
InChi (Click to copy)
InChI=1S/C58H115NO8/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-54(62)59-51(50-66-58-57(65)56(64)55(63)53(49-60)67-58)52(61)47-45-43-41-39-14-12-10-8-6-4-2/h51-53,55-58,60-61,63-65H,3-50H2,1-2H3,(H,59,62)/t51-,52+,53+,55+,56?,57?,58+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC