In-Silico Structure Database (LMISSD)

Common Name
Cer(t21:0/13:0(2OH[R]))
Systematic Name
N-(2R-hydroxydodecanoyl)-4R-hydroxyheneicosasphinganine
LM ID
LMSP02039AUO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
571.517574
Formula
C34H69NO5
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-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
TVGWAUINBVCWIU-FWGCVNADSA-N
InChi (Click to copy)
InChI=1S/C34H69NO5/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-31(37)33(39)30(29-36)35-34(40)32(38)28-26-24-22-19-12-10-8-6-4-2/h30-33,36-39H,3-29H2,1-2H3,(H,35,40)/t30-,31+,32+,33-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCCC

References

Other Databases