In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/18:3(9Z,12Z,15Z))
Systematic Name
N-(9Z,12Z,15Z-octadecatrienoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AG7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
745.453002
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
MPPMFBJNSBMHFW-SJLVDHOPSA-N
InChi (Click to copy)
InChI=1S/C38H68NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(41)39-30(31(40)27-25-23-21-19-12-10-8-6-4-2)29-49-51(47,48)50-38-36(45)34(43)33(42)35(44)37(38)46/h5,7,11-13,15-16,19,30-31,33-38,40,42-46H,3-4,6,8-10,14,17-18,20-29H2,1-2H3,(H,39,41)(H,47,48)/b7-5-,13-11-,16-15-,19-12+/t30-,31+,33?,34+,35?,36?,37?,38+/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(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)[C@]([H])(O)CCCC/C=C/CCCCC