In-Silico Structure Database (LMISSD)

Common Name
Cer(d19:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
N-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-nonadecasphinganine
LM ID
LMSP02029APL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
657.605994
Formula
C43H79NO3
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-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
JRJUNSXBUHSGFP-NKHYBXOLSA-N
InChi (Click to copy)
InChI=1S/C43H79NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h19-20,22-23,25,27,31,33,41-42,45-46H,3-18,21,24,26,28-30,32,34-40H2,1-2H3,(H,44,47)/b20-19-,23-22-,27-25-,33-31-/t41-,42+/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)CCCCCCCCCCCCCCCC

References

Other Databases