Friday, June 30, 2006


Malaria37-#42 Diketopiperazine
Name: 3-(aminomethyl)-6-(3,4-dihydroxybenzyl)-1-(2-oxopropyl)piperazine-2,5-dione
SMILES: c1(c(ccc(c1)CC2C(NC(C(N2CC(C)=O)=O)CN)=O)O)O

Aldehyde is the same as UC0008
Amine is the same as UC0028
Amino Acid is UC0114


At 1/7/06 09:36, Blogger Egon Willighagen said...

"Aldehyde is the same as"

Interesting, some possible semantic linking. Is there a dictionary of ontology behind this, in which I could look up what is meant with this statement?

At 1/7/06 11:32, Blogger Jean-Claude Bradley said...

In this case that means that this molecule can be made from the aldehyde being linked to. It is not a synonym.


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