In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(4E)/28:0)
Systematic Name
N-(octacosanoyl)-4E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AFQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
891.656452
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
KEXMOMHPZSXTBL-UFKCUAEASA-N
InChi (Click to copy)
InChI=1S/C48H94NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-42(51)49-40(41(50)37-35-33-31-29-12-10-8-6-4-2)39-59-61(57,58)60-48-46(55)44(53)43(52)45(54)47(48)56/h35,37,40-41,43-48,50,52-56H,3-34,36,38-39H2,1-2H3,(H,49,51)(H,57,58)/b37-35+/t40-,41+,43?,44+,45?,46?,47?,48+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC