In-Silico Structure Database (LMISSD)
Common Name
GlcCer(d14:0/17:1(9Z))
Systematic Name
N-(9Z-heptadecenoyl)-1-β-glucosyl-tetradecasphinganine
LM ID
LMSP05019AAM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
657.517969
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]
String Representations
InChiKey (Click to copy)
QDPFBROBCUQYLI-SIQGXSAKSA-N
InChi (Click to copy)
InChI=1S/C37H71NO8/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-33(41)38-30(31(40)26-24-22-20-18-12-10-8-6-4-2)29-45-37-36(44)35(43)34(42)32(28-39)46-37/h14-15,30-32,34-37,39-40,42-44H,3-13,16-29H2,1-2H3,(H,38,41)/b15-14-/t30-,31+,32+,34+,35?,36?,37+/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\CCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC