In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/30:0)
Systematic Name
N-(triacontanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AIO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
919.687752
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
REYLNAXYBJMJOK-YJMFOTTHSA-N
InChi (Click to copy)
InChI=1S/C50H98NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-44(53)51-42(43(52)39-37-35-33-31-12-10-8-6-4-2)41-61-63(59,60)62-50-48(57)46(55)45(54)47(56)49(50)58/h12,31,42-43,45-50,52,54-58H,3-11,13-30,32-41H2,1-2H3,(H,51,53)(H,59,60)/b31-12+/t42-,43+,45?,46+,47?,48?,49?,50+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC