In-Silico Structure Database (LMISSD)

Common Name
Cer(t20:0/17:2(9Z,12Z))
Systematic Name
N-(9Z,12Z-heptadecadienoyl)-4R-hydroxyeicosasphinganine
LM ID
LMSP02039AR7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
593.538309
Formula
C37H71NO4
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)
RCLHNZLVRFMFMJ-ONPUONDKSA-N
InChi (Click to copy)
InChI=1S/C37H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)37(42)34(33-39)38-36(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,16,18,34-35,37,39-40,42H,3-9,11,13-15,17,19-33H2,1-2H3,(H,38,41)/b12-10-,18-16-/t34-,35+,37-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCC/C=C\C/C=C\CCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC

References

Other Databases