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...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2461 CPD0-2461] ==
 
* smiles:
 
* smiles:
−
** CC(C(C([O-])=O)=O)C
+
** C2(=NC1(=C(NC(N=C(N)1)=O)N2))
−
* inchi key:
+
−
** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** 3-methyl-2-oxobutanoate
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** isoguanine
 +
* inchi key:
 +
** InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 115.108    
+
** 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
+
−
** α-ketoisopentanoic acid
+
−
** α-keto-isovalerate
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−
** α-oxoisovalerate
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−
** α-ketovaline
+
−
** 2-keto-isovalerate
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−
** 2-ketovaline
+
−
** α-keto-valine
+
−
** 2-oxoisopentanoate
+
−
** 2-keto-3-methylbutyric acid
+
  
 
== 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]]
+
* [[RXN-15139]]
−
* [[DHAD_3mob_h]]
+
−
* [[DHAD_3mob]]
+
−
* [[DIHYDROXYISOVALDEHYDRAT-RXN]]
+
 
== 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:
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** [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
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810]
+
** [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
+
* HMDB : HMDB00403
−
{{#set: smiles=CC(C(C([O-])=O)=O)C}}
+
{{#set: smiles=C2(=NC1(=C(NC(N=C(N)1)=O)N2))}}
−
{{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}}
+
{{#set: common name=isoguanine}}
−
{{#set: common name=3-methyl-2-oxobutanoate}}
+
{{#set: inchi key=InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N}}
−
{{#set: molecular weight=115.108   }}
+
{{#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}}
+
{{#set: common name=2-oxoadenine|2-hydroxyadenine}}
−
{{#set: consumed by=MTMOHT|IPMS|2-ISOPROPYLMALATESYN-RXN|RXN-15635|R01226|1.2.1.25-RXN}}
+
{{#set: produced by=RXN-15139}}
−
{{#set: produced by=DMHL|DHAD_3mob_h|DHAD_3mob|DIHYDROXYISOVALDEHYDRAT-RXN}}
+
−
{{#set: consumed or produced by=1.2.4.4-RXN|3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|KETOPANTOALDOLASE-RXN|BRANCHED-CHAINAMINOTRANSFERVAL-RXN}}
+

Latest revision as of 21:24, 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




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD0-2461&oldid=48524"