In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/34:0)
Systematic Name
N-(tetratriacontanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AIS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
975.750352
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
GRCNNBPJXMUVMH-DIKSDFAHSA-N
InChi (Click to copy)
InChI=1S/C54H106NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-48(57)55-46(47(56)43-41-39-37-35-12-10-8-6-4-2)45-65-67(63,64)66-54-52(61)50(59)49(58)51(60)53(54)62/h12,35,46-47,49-54,56,58-62H,3-11,13-34,36-45H2,1-2H3,(H,55,57)(H,63,64)/b35-12+/t46-,47+,49?,50+,51?,52?,53?,54+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC