In-Silico Structure Database (LMISSD)

Common Name
Cer(t15:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
N-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-4R-hydroxypentadecasphinganine
LM ID
LMSP02039AFG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
617.538309
Formula
C39H71NO4
Predict MS/MS spectrum ([M-H]-)
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
SOQKHVWZKSNXHQ-HNWSDIHZSA-N
InChi (Click to copy)
InChI=1S/C39H71NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(43)40-36(35-41)39(44)37(42)33-31-29-27-25-12-10-8-6-4-2/h16-17,19-20,22-23,26,28,36-37,39,41-42,44H,3-15,18,21,24-25,27,29-35H2,1-2H3,(H,40,43)/b17-16-,20-19-,23-22-,28-26-/t36-,37+,39-/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCC

References

Other Databases