In-Silico Structure Database (LMISSD)
Common Name
GalCer(d17:1(8E)/24:1(15Z)(2OH[R]))
Systematic Name
N-(2R-hydroxy-15Z-tetracosenoyl)-1-β-galactosyl-4E-heptadecasphingenine
LM ID
LMSP05019J17
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
811.653734
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
KLPDUUPNGRMJRN-VHMGYGSVSA-N
InChi (Click to copy)
InChI=1S/C47H89NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(51)46(55)48-39(38-56-47-45(54)44(53)43(52)42(37-49)57-47)40(50)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,25,27,39-45,47,49-54H,3-16,19-24,26,28-38H2,1-2H3,(H,48,55)/b18-17-,27-25+/t39-,40+,41+,42+,43-,44?,45?,47+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCC