In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/26:1(5Z))
Systematic Name
N-(5Z-hexacosenoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AIH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
861.609502
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
JVSXFKZTBAGERL-PUTPIHHSSA-N
InChi (Click to copy)
InChI=1S/C46H88NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-40(49)47-38(39(48)35-33-31-29-27-12-10-8-6-4-2)37-57-59(55,56)58-46-44(53)42(51)41(50)43(52)45(46)54/h12,27-28,30,38-39,41-46,48,50-54H,3-11,13-26,29,31-37H2,1-2H3,(H,47,49)(H,55,56)/b27-12+,30-28-/t38-,39+,41?,42+,43?,44?,45?,46+/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(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC