In-Silico Structure Database (LMISSD)

H H NH OH O OH
Common Name
Cer(d22:0/13:0)
Systematic Name
N-(tridecanoyl)-docosasphinganine
LM ID
LMSP02029AV6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
553.543394
Formula
C35H71NO3
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)
VAPWLKCIILWPMK-SZAHLOSFSA-N
InChi (Click to copy)
InChI=1S/C35H71NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-34(38)33(32-37)36-35(39)31-29-27-25-23-14-12-10-8-6-4-2/h33-34,37-38H,3-32H2,1-2H3,(H,36,39)/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCCC

References

Other Databases