In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:0/13:0)
Systematic Name
N-(tridecanoyl)-tetradecasphinganine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AAH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
683.437352
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
YMXRJPNKXZWWFO-LBGZRMJRSA-N
InChi (Click to copy)
InChI=1S/C33H66NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-27(36)34-25(26(35)22-20-18-16-14-12-10-8-6-4-2)24-44-46(42,43)45-33-31(40)29(38)28(37)30(39)32(33)41/h25-26,28-33,35,37-41H,3-24H2,1-2H3,(H,34,36)(H,42,43)/t25-,26+,28?,29+,30?,31?,32?,33+/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(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC