In-Silico Structure Database (LMISSD)

Common Name
Cer(d21:0/22:1(13Z)(2OH[R]))
Systematic Name
N-(2R-hydroxy-13Z-docosenoyl)-heneicosasphinganine
LM ID
LMSP02029AUZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
679.647859
Formula
C43H85NO4
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]
N-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
OBTFXMYIXHWNLJ-BFUZKPMESA-N
InChi (Click to copy)
InChI=1S/C43H85NO4/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-42(47)43(48)44-40(39-45)41(46)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,40-42,45-47H,3-16,18,20-39H2,1-2H3,(H,44,48)/b19-17-/t40-,41+,42+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC

References

Other Databases