Difference between revisions of "ACETONE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ExchangeSeed_OXYGEN-MOLECULE ExchangeSeed_OXYGEN-MOLECULE] == * direction: ** REVERSIBLE * Synonym(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETONE ACETONE] == * smiles: ** CC(=O)C * inchi key: ** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N *...")
 
(One intermediate revision by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ExchangeSeed_OXYGEN-MOLECULE ExchangeSeed_OXYGEN-MOLECULE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETONE ACETONE] ==
* direction:
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* smiles:
** REVERSIBLE
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** CC(=O)C
 +
* inchi key:
 +
** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
 +
* common name:
 +
** acetone
 +
* molecular weight:
 +
** 58.08   
 
* Synonym(s):
 
* Synonym(s):
 +
** dimethylketone
 +
** 2-propanone
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** propanone
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN-8630]]
** 1.0 [[OXYGEN-MOLECULE]][C-BOUNDARY] '''<=>''' 1.0 [[OXYGEN-MOLECULE]][e]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1.0 oxygen[C-BOUNDARY] '''<=>''' 1.0 oxygen[e]
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[manual]]
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** Source: [[manual-import_from_medium]]
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*** Comment: [[added to manage seeds from boundary to extracellular compartment]]
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== External links  ==
 
== External links  ==
{{#set: direction=REVERSIBLE}}
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* CAS : 67-64-1
{{#set: in pathway=}}
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* PUBCHEM:
{{#set: reconstruction category=manual}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=180 180]
{{#set: reconstruction source=manual-import_from_medium}}
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* HMDB : HMDB01659
{{#set: reconstruction comment=added to manage seeds from boundary to extracellular compartment}}
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00207 C00207]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.175.html 175]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15347 15347]
 +
* METABOLIGHTS : MTBLC15347
 +
{{#set: smiles=CC(=O)C}}
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{{#set: inchi key=InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N}}
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{{#set: common name=acetone}}
 +
{{#set: molecular weight=58.08    }}
 +
{{#set: common name=dimethylketone|2-propanone|propanone}}
 +
{{#set: consumed by=RXN-8630}}

Latest revision as of 19:21, 21 March 2018

Metabolite ACETONE

  • smiles:
    • CC(=O)C
  • inchi key:
    • InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
  • common name:
    • acetone
  • molecular weight:
    • 58.08
  • Synonym(s):
    • dimethylketone
    • 2-propanone
    • propanone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 67-64-1
  • PUBCHEM:
  • HMDB : HMDB01659
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC15347