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install and run avogadro on windoz vista,
download sourcecode tgz,
click on a example/cml file,
get error
cant open cml file
workaround:
open cml with wordpad first and save then open with avogad…
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hydroxymethylglutaryl-CoA reductase inhibitor (CHEBI:35664)
The protein links in this entry are wrong.
e.g. "Statin" S1
Molecular function "lovastatin" nonaketide synthase activity
Automatic ma…
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2-(ethylidyneammonio)propan-2-ide (CHEBI:47847) should have the IUPAC name 2-(ethylidyneazaniumyl)propan-2-ide so as not to be ambiguous/describe the wrong structure
Reported by: dan2097
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5-{2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]ethyl}-4-chloroisoindolin-1-one should be something like:
5-{2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloroindolin-2-one to describe the …
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N-(3-hydroxypropyl)-4-methoxy-3-nitroaniline (CHEBI:48640) should have the IUPAC name 3-[(4-methoxy-3-nitrophenyl)amino]propan-1-ol to produce the specified structure.
Reported by: dan2097
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Here's some more cases of names and structures mismatching. Most mismatches are minor.
CHEBI:58967
(2E,4S)-4-methylnon-2-enal has a methyl at the 4 position whilst the structure has a hydroxy at the …
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(CHEBI:3215)
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide indicates the butyl is at the 1 position but the structure shows it at the 3 position
(CHEBI:50931)
(3Z)-3-(2-chloro-4a,9a-dihydro-…
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Hello,
Could the following please be added to ChEBI?
name: 6-dimethylamino-2-acylnaphthalenes
def: A class of fluorescent compounds used to tag nucleosides. (see image)
is_a: aminonaphthalenes (CHEB…
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Hello,
I would like to request a new term.
term: 'propanediol utilization'
def: The use of propanediol in metabolic reactions to
produce useful compounds for the cell.
parent: GO:0019751 'polyol m…
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This is a follow on from the first request #2008816 to which the response was lost or misdirected. The original request was "The term "Schiff-base" is apparently not yet defined in the ChEBI ontology…