In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/25:0)
Systematic Name
N-(pentacosanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AIE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
849.609502
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
CYWUITJWLBNEAZ-TZNISJDXSA-N
InChi (Click to copy)
InChI=1S/C45H88NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(48)46-37(38(47)34-32-30-28-26-12-10-8-6-4-2)36-56-58(54,55)57-45-43(52)41(50)40(49)42(51)44(45)53/h12,26,37-38,40-45,47,49-53H,3-11,13-25,27-36H2,1-2H3,(H,46,48)(H,54,55)/b26-12+/t37-,38+,40?,41+,42?,43?,44?,45+/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(CCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC