In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/20:4(7E,10E,13E,16E))
Systematic Name
N-(7E,10E,13E,16E-eicosatetraenoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AHS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
771.468652
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
XCMXOSLCOCCUOB-GZBPLNBJSA-N
InChi (Click to copy)
InChI=1S/C40H70NO11P/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/h7,9,12-14,16-17,19-21,32-33,35-40,42,44-48H,3-6,8,10-11,15,18,22-31H2,1-2H3,(H,41,43)(H,49,50)/b9-7+,14-13+,17-16+,20-19+,21-12+/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(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC