In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d20:0/21:0(2OH[R]))
Systematic Name
N-(2R-hydroxyheneicosanoyl)-eicosasphinganine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039CKY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
895.651367
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
AIHMWVNSDPSZBQ-FTULIYETSA-N
InChi (Click to copy)
InChI=1S/C47H94NO12P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-40(50)47(56)48-38(37-59-61(57,58)60-46-44(54)42(52)41(51)43(53)45(46)55)39(49)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h38-46,49-55H,3-37H2,1-2H3,(H,48,56)(H,57,58)/t38-,39+,40+,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([C@H](O)CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCC