Difference between revisions of "TCV3"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-PROPIONATE 3-HYDROXY-PROPIONATE] == * smiles: ** C(CO)C([O-])=O * inchi key: ** InChI...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12279 CPD-12279] == * smiles: ** C(=O)([O-])C=N * inchi key: ** InChIKey=TVMUHOAONWHJBV-UHF...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-PROPIONATE 3-HYDROXY-PROPIONATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12279 CPD-12279] ==
 
* smiles:
 
* smiles:
** C(CO)C([O-])=O
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** C(=O)([O-])C=N
 
* inchi key:
 
* inchi key:
** InChIKey=ALRHLSYJTWAHJZ-UHFFFAOYSA-M
+
** InChIKey=TVMUHOAONWHJBV-UHFFFAOYSA-M
 
* common name:
 
* common name:
** 3-hydroxypropanoate
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** 2-iminoacetate
 
* molecular weight:
 
* molecular weight:
** 89.071    
+
** 72.043    
 
* Synonym(s):
 
* Synonym(s):
** 3-hydroxypropionate
+
** iminoacetic acid
** β-hydroxypropionate
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** dehydroglycine
** 3-hydroxypropanoic acid
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** iminoacetate
** 3-hydropropionic acid
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** hydracrylic acid
+
  
 
== 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-6384]]
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* [[RXN-12614]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 503-66-2
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459847 5459847]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23347814 23347814]
* HMDB : HMDB00700
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01013 C01013]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4573601.html 4573601]
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** [http://www.chemspider.com/Chemical-Structure.15272272.html 15272272]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16510 16510]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=53664 53664]
* METABOLIGHTS : MTBLC16510
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{{#set: smiles=C(=O)([O-])C=N}}
{{#set: smiles=C(CO)C([O-])=O}}
+
{{#set: inchi key=InChIKey=TVMUHOAONWHJBV-UHFFFAOYSA-M}}
{{#set: inchi key=InChIKey=ALRHLSYJTWAHJZ-UHFFFAOYSA-M}}
+
{{#set: common name=2-iminoacetate}}
{{#set: common name=3-hydroxypropanoate}}
+
{{#set: molecular weight=72.043   }}
{{#set: molecular weight=89.071   }}
+
{{#set: common name=iminoacetic acid|dehydroglycine|iminoacetate}}
{{#set: common name=3-hydroxypropionate|β-hydroxypropionate|3-hydroxypropanoic acid|3-hydropropionic acid|hydracrylic acid}}
+
{{#set: produced by=RXN-12614}}
{{#set: produced by=RXN-6384}}
+

Revision as of 12:16, 18 January 2018

Metabolite CPD-12279

  • smiles:
    • C(=O)([O-])C=N
  • inchi key:
    • InChIKey=TVMUHOAONWHJBV-UHFFFAOYSA-M
  • common name:
    • 2-iminoacetate
  • molecular weight:
    • 72.043
  • Synonym(s):
    • iminoacetic acid
    • dehydroglycine
    • iminoacetate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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