In-Silico Structure Database (LMISSD)

Common Name
Cer(d15:1(4E)/18:2(9E,12E))
Systematic Name
N-(9E,12E-octadecadienoyl)-4E-pentadecasphingenine
LM ID
LMSP02019AMV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
519.465144
Formula
C33H61NO3
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-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
GEEKAXSCUPFTBS-NQDNFXAFSA-N
InChi (Click to copy)
InChI=1S/C33H61NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(37)34-31(30-35)32(36)28-26-24-22-20-14-12-10-8-6-4-2/h11,13,16-17,26,28,31-32,35-36H,3-10,12,14-15,18-25,27,29-30H2,1-2H3,(H,34,37)/b13-11+,17-16+,28-26+/t31-,32+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C/C/C=C/CCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC

References

Other Databases