Difference between revisions of "CPD0-2461"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] == * smiles: ** CC(C(C([O-])=O)=O)C * inchi key: ** InCh...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2461 CPD0-2461] == * smiles: ** C2(=NC1(=C(NC(N=C(N)1)=O)N2)) * common name: ** isoguanine...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2461 CPD0-2461] ==
 
* smiles:
 
* smiles:
** CC(C(C([O-])=O)=O)C
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** C2(=NC1(=C(NC(N=C(N)1)=O)N2))
* inchi key:
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** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
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* common name:
 
* common name:
** 3-methyl-2-oxobutanoate
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** isoguanine
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* inchi key:
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** InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 115.108    
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** 151.127    
 
* Synonym(s):
 
* Synonym(s):
** 2-oxo-3-methylbutanoate
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** 2-oxoadenine
** 2-oxoisovalerate
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** 2-hydroxyadenine
** α-keto-isovaleric acid
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** α-ketoisopentanoic acid
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** α-keto-isovalerate
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** α-oxoisovalerate
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** α-ketovaline
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** 2-keto-isovalerate
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** 2-ketovaline
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** α-keto-valine
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** 2-oxoisopentanoate
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** 2-keto-3-methylbutyric acid
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[MTMOHT]]
 
* [[IPMS]]
 
* [[2-ISOPROPYLMALATESYN-RXN]]
 
* [[RXN-15635]]
 
* [[R01226]]
 
* [[1.2.1.25-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[DMHL]]
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* [[RXN-15139]]
* [[DHAD_3mob_h]]
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* [[DHAD_3mob]]
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* [[DIHYDROXYISOVALDEHYDRAT-RXN]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[1.2.4.4-RXN]]
 
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
 
* [[KETOPANTOALDOLASE-RXN]]
 
* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 759-05-7
 
* METABOLIGHTS : MTBLC11851
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5204641 5204641]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=76900 76900]
* HMDB : HMDB00019
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810]
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** [http://www.chemspider.com/Chemical-Structure.69351.html 69351]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62462 62462]
* BIGG : 3mob
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* HMDB : HMDB00403
{{#set: smiles=CC(C(C([O-])=O)=O)C}}
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{{#set: smiles=C2(=NC1(=C(NC(N=C(N)1)=O)N2))}}
{{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}}
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{{#set: common name=isoguanine}}
{{#set: common name=3-methyl-2-oxobutanoate}}
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{{#set: inchi key=InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N}}
{{#set: molecular weight=115.108   }}
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{{#set: molecular weight=151.127   }}
{{#set: common name=2-oxo-3-methylbutanoate|2-oxoisovalerate|α-keto-isovaleric acid|α-ketoisopentanoic acid|α-keto-isovalerate|α-oxoisovalerate|α-ketovaline|2-keto-isovalerate|2-ketovaline|α-keto-valine|2-oxoisopentanoate|2-keto-3-methylbutyric acid}}
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{{#set: common name=2-oxoadenine|2-hydroxyadenine}}
{{#set: consumed by=MTMOHT|IPMS|2-ISOPROPYLMALATESYN-RXN|RXN-15635|R01226|1.2.1.25-RXN}}
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{{#set: produced by=RXN-15139}}
{{#set: produced by=DMHL|DHAD_3mob_h|DHAD_3mob|DIHYDROXYISOVALDEHYDRAT-RXN}}
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{{#set: consumed or produced by=1.2.4.4-RXN|3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|KETOPANTOALDOLASE-RXN|BRANCHED-CHAINAMINOTRANSFERVAL-RXN}}
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Latest revision as of 20:24, 21 March 2018

Metabolite CPD0-2461

  • smiles:
    • C2(=NC1(=C(NC(N=C(N)1)=O)N2))
  • common name:
    • isoguanine
  • inchi key:
    • InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N
  • molecular weight:
    • 151.127
  • Synonym(s):
    • 2-oxoadenine
    • 2-hydroxyadenine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links