In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:2(4E,6E)/20:4(6E,8Z,11Z,14Z))
Systematic Name
N-(6E,8Z,11Z,14Z-eicosatetraenoyl)-4E,6E-tetradecasphingadienine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AKN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
769.453002
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
BPFKRYOPFSGFJH-IBKQLXDTSA-N
InChi (Click to copy)
InChI=1S/C40H68NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(43)41-32(33(42)29-27-25-23-21-12-10-8-6-4-2)31-51-53(49,50)52-40-38(47)36(45)35(44)37(46)39(40)48/h11,13,15-16,18-20,22-23,25,27,29,32-33,35-40,42,44-48H,3-10,12,14,17,21,24,26,28,30-31H2,1-2H3,(H,41,43)(H,49,50)/b13-11-,16-15-,19-18-,22-20+,25-23+,29-27+/t32-,33+,35?,36+,37?,38?,39?,40+/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(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC