In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:1(8E)/18:4(9E,11E,13E,15E))
Systematic Name
N-(9E,11E,13E,15E-octadecatetraenoyl)-1-β-glucosyl-8E-tetradecasphingenine
LM ID
LMSP05019AH4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
663.471019
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
OVXOGSNMLKOPQC-SDLIDJNESA-N
InChi (Click to copy)
InChI=1S/C38H65NO8/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(42)39-31(32(41)27-25-23-21-19-12-10-8-6-4-2)30-46-38-37(45)36(44)35(43)33(29-40)47-38/h5,7,9,11-16,19,31-33,35-38,40-41,43-45H,3-4,6,8,10,17-18,20-30H2,1-2H3,(H,39,42)/b7-5+,11-9+,14-13+,16-15+,19-12+/t31-,32+,33+,35+,36?,37?,38+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)[C@]([H])(O)CCCC/C=C/CCCCC