In-Silico Structure Database (LMISSD)

Common Name
Cer(t16:0/18:2(9Z,11Z))
Systematic Name
N-(9Z,11Z-octadecadienoyl)-4R-hydroxyhexadecasphinganine
LM ID
LMSP02039AG4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
551.491359
Formula
C34H65NO4
Predict MS/MS spectrum ([M-H]-)
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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)
FNAPWLFNHWRMGU-FRPAOOMGSA-N
InChi (Click to copy)
InChI=1S/C34H65NO4/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(38)35-31(30-36)34(39)32(37)28-26-24-22-20-14-12-10-8-6-4-2/h13,15-17,31-32,34,36-37,39H,3-12,14,18-30H2,1-2H3,(H,35,38)/b15-13-,17-16-/t31-,32+,34-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\C=C/CCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCC

References

Other Databases