In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:2(4E,6E)/10:0)
Systematic Name
N-(decanoyl)-4E,6E-tetradecasphingadienine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AIZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
637.359102
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
TXQDODLLZFNVSJ-FGPKGUBVSA-N
InChi (Click to copy)
InChI=1S/C30H56NO11P/c1-3-5-7-9-11-12-14-15-17-19-23(32)22(31-24(33)20-18-16-13-10-8-6-4-2)21-41-43(39,40)42-30-28(37)26(35)25(34)27(36)29(30)38/h14-15,17,19,22-23,25-30,32,34-38H,3-13,16,18,20-21H2,1-2H3,(H,31,33)(H,39,40)/b15-14+,19-17+/t22-,23+,25?,26+,27?,28?,29?,30+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC