Difference between revisions of "AMINO-OXOBUT"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] == * smiles: ** C[N+](C)(CC([O-])=O)C * inchi key: ** InChIKey=KWIUHFFTVRNATP-...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AMINO-OXOBUT AMINO-OXOBUT] ==
 
* smiles:
 
* smiles:
** C[N+](C)(CC([O-])=O)C
+
** CC(=O)C([N+])C([O-])=O
 +
* molecular weight:
 +
** 117.104   
 
* inchi key:
 
* inchi key:
** InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
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** InChIKey=SAUCHDKDCUROAO-VKHMYHEASA-N
 
* common name:
 
* common name:
** glycine betaine
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** L-2-amino-3-oxobutanoate
* molecular weight:
+
** 117.147   
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* Synonym(s):
 
* Synonym(s):
** oxyneurine
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** 3-oxothreonine
** lycine
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** 3-keto-L-threonine
** acidin-pepsin
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** L-2-amino-acetoacetate
** betaine
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** L-2-amino-3-ketobutyrate
** trimethylammonioacetate
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** L-2-amino-3-oxobutyrate
** N,N,N-trimethylglycine
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** α-amino-β-ketobutyrate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9680]]
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* [[THREODEHYD-RXN]]
* [[RXN-13405]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[BADH-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 107-43-7
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* BIGG : 2aobut
* METABOLIGHTS : MTBLC17750
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* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=247 247]
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* HMDB : HMDB00043
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00719 C00719]
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** [http://www.genome.jp/dbget-bin/www_bget?C03508 C03508]
 +
* HMDB : HMDB06454
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.242.html 242]
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** [http://www.chemspider.com/Chemical-Structure.4573764.html 4573764]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17750 17750]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78948 78948]
* BIGG : glyb
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* PUBCHEM:
{{#set: smiles=C[N+](C)(CC([O-])=O)C}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289686 86289686]
{{#set: inchi key=InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N}}
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{{#set: smiles=CC(=O)C([N+])C([O-])=O}}
{{#set: common name=glycine betaine}}
+
{{#set: molecular weight=117.104    }}
{{#set: molecular weight=117.147    }}
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{{#set: inchi key=InChIKey=SAUCHDKDCUROAO-VKHMYHEASA-N}}
{{#set: common name=oxyneurine|lycine|acidin-pepsin|betaine|trimethylammonioacetate|N,N,N-trimethylglycine}}
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{{#set: common name=L-2-amino-3-oxobutanoate}}
{{#set: produced by=RXN-9680|RXN-13405}}
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{{#set: common name=3-oxothreonine|3-keto-L-threonine|L-2-amino-acetoacetate|L-2-amino-3-ketobutyrate|L-2-amino-3-oxobutyrate|α-amino-β-ketobutyrate}}
{{#set: consumed or produced by=BADH-RXN}}
+
{{#set: produced by=THREODEHYD-RXN}}

Latest revision as of 18:01, 9 January 2019

Metabolite AMINO-OXOBUT

  • smiles:
    • CC(=O)C([N+])C([O-])=O
  • molecular weight:
    • 117.104
  • inchi key:
    • InChIKey=SAUCHDKDCUROAO-VKHMYHEASA-N
  • common name:
    • L-2-amino-3-oxobutanoate
  • Synonym(s):
    • 3-oxothreonine
    • 3-keto-L-threonine
    • L-2-amino-acetoacetate
    • L-2-amino-3-ketobutyrate
    • L-2-amino-3-oxobutyrate
    • α-amino-β-ketobutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=O)C([N+])C([O-])=O" cannot be used as a page name in this wiki.