In-Silico Structure Database (LMISSD)
Common Name
PI-Cer(d14:1(8E)/35:0)
Systematic Name
N-(pentatriacontanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AIT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
989.766002
Formula
Main
Classification
Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]
String Representations
InChiKey (Click to copy)
IWDZELYVFLWKOH-PLSGZRPHSA-N
InChi (Click to copy)
InChI=1S/C55H108NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-49(58)56-47(48(57)44-42-40-38-36-12-10-8-6-4-2)46-66-68(64,65)67-55-53(62)51(60)50(59)52(61)54(55)63/h12,36,47-48,50-55,57,59-63H,3-11,13-35,37-46H2,1-2H3,(H,56,58)(H,64,65)/b36-12+/t47-,48+,50?,51+,52?,53?,54?,55+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC