In-Silico Structure Database (LMISSD)

Common Name
PI-Cer(d14:1(8E)/11:0)
Systematic Name
N-(undecanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AF5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
653.390402
Formula
C31H60NO11P
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]

String Representations

InChiKey (Click to copy)
BIMCXHMDPDPNSN-HVPKVINPSA-N
InChi (Click to copy)
InChI=1S/C31H60NO11P/c1-3-5-7-9-11-13-14-16-18-20-24(33)23(32-25(34)21-19-17-15-12-10-8-6-4-2)22-42-44(40,41)43-31-29(38)27(36)26(35)28(37)30(31)39/h11,13,23-24,26-31,33,35-39H,3-10,12,14-22H2,1-2H3,(H,32,34)(H,40,41)/b13-11+/t23-,24+,26?,27+,28?,29?,30?,31+/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(CCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC

References

Other Databases