In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:0/12:0)
Systematic Name
N-(dodecanoyl)-1-β-glucosyl-tetradecasphinganine
LM ID
LMSP05019AAC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
589.455369
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
TZZJHECLYSDIMA-MUYTYWQRSA-N
InChi (Click to copy)
InChI=1S/C32H63NO8/c1-3-5-7-9-11-13-15-17-19-21-26(35)25(24-40-32-31(39)30(38)29(37)27(23-34)41-32)33-28(36)22-20-18-16-14-12-10-8-6-4-2/h25-27,29-32,34-35,37-39H,3-24H2,1-2H3,(H,33,36)/t25-,26+,27+,29+,30?,31?,32+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC