In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/38:0)
Systematic Name
N-(octatriacontanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AIW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1031.812952
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
ZLLNUSMHZOJIDS-UXMVIIRXSA-N
InChi (Click to copy)
InChI=1S/C58H114NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-52(61)59-50(51(60)47-45-43-41-39-12-10-8-6-4-2)49-69-71(67,68)70-58-56(65)54(63)53(62)55(64)57(58)66/h12,39,50-51,53-58,60,62-66H,3-11,13-38,40-49H2,1-2H3,(H,59,61)(H,67,68)/b39-12+/t50-,51+,53?,54+,55?,56?,57?,58+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC