In-Silico Structure Database (LMISSD)

H NH OH O OH H
Common Name
Cer(d21:0/26:0)
Systematic Name
N-(hexacosanoyl)-heneicosasphinganine
LM ID
LMSP02029AVH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
721.731194
Formula
C47H95NO3
Predict MS/MS spectrum ([M-H]-)
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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)
UWPPOERKYIRNQG-CRCOQUFZSA-N
InChi (Click to copy)
InChI=1S/C47H95NO3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-37-39-41-43-47(51)48-45(44-49)46(50)42-40-38-36-34-32-30-28-20-18-16-14-12-10-8-6-4-2/h45-46,49-50H,3-44H2,1-2H3,(H,48,51)/t45-,46+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCC

References

Other Databases