In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d22:1(8E)/14:0(2OH[R]))
Systematic Name
N-(2R-hydroxytetradecanoyl)-8E-docosasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039DCA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
823.557467
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
RTMCPEONZCNIIE-DXJURBICSA-N
InChi (Click to copy)
InChI=1S/C42H82NO12P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-24-26-28-30-34(44)33(43-42(51)35(45)31-29-27-25-22-14-12-10-8-6-4-2)32-54-56(52,53)55-41-39(49)37(47)36(46)38(48)40(41)50/h21,23,33-41,44-50H,3-20,22,24-32H2,1-2H3,(H,43,51)(H,52,53)/b23-21+/t33-,34+,35+,36?,37+,38?,39?,40?,41+/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([C@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCCCCCCC