In-Silico Structure Database (LMISSD)

Common Name
CerP(d14:1(8E)/35:0)
Systematic Name
N-(pentatriacontanoyl)-8E-tetradecasphingenine-1-phosphate
LM ID
LMSP02059AIT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
827.713177
Formula
C49H98NO6P
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]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]

String Representations

InChiKey (Click to copy)
IAOSAZQMVNESPF-UXKXYGGTSA-N
InChi (Click to copy)
InChI=1S/C49H98NO6P/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(52)50-47(46-56-57(53,54)55)48(51)44-42-40-38-36-12-10-8-6-4-2/h12,36,47-48,51H,3-11,13-35,37-46H2,1-2H3,(H,50,52)(H2,53,54,55)/b36-12+/t47-,48+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC

References

Other Databases