Difference between revisions of "BETAINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=23-DIPHOSPHOGLYCERATE 23-DIPHOSPHOGLYCERATE] == * smiles: ** C(OP(=O)([O-])[O-])C(OP(=O)([O-])[...")
(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-...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=23-DIPHOSPHOGLYCERATE 23-DIPHOSPHOGLYCERATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] ==
 
* smiles:
 
* smiles:
** C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(=O)[O-]
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** C[N+](C)(CC([O-])=O)C
 
* inchi key:
 
* inchi key:
** InChIKey=XOHUEYCVLUUEJJ-UWTATZPHSA-I
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** InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 2,3-diphospho-D-glycerate
+
** glycine betaine
 
* molecular weight:
 
* molecular weight:
** 260.998    
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** 117.147    
 
* Synonym(s):
 
* Synonym(s):
** 2,3-bisphosphoglycerate
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** oxyneurine
** D-Greenwald ester
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** lycine
** 2,3-P2-D-glycerate
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** acidin-pepsin
** 2,3-bisphospho-D-glycerate
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** betaine
** 2,3-diphosphoglycerate
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** trimethylammonioacetate
** DPG
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** N,N,N-trimethylglycine
** 2,3-bisPGA
+
  
 
== 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-13406]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-15512]]
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* [[BADH-RXN]]
* [[RXN-15509]]
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* [[RXN-15510]]
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* [[RXN-15511]]
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== External links  ==
 
== External links  ==
 +
* CAS : 107-43-7
 +
* METABOLIGHTS : MTBLC17750
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=247 247]
 +
* HMDB : HMDB00043
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01159 C01159]
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** [http://www.genome.jp/dbget-bin/www_bget?C00719 C00719]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.242.html 242]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58248 58248]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17750 17750]
* METABOLIGHTS : MTBLC58248
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* BIGG : 35786
* PUBCHEM:
+
* BIGG : glyb
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200383 25200383]
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{{#set: smiles=C[N+](C)(CC([O-])=O)C}}
* HMDB : HMDB01294
+
{{#set: inchi key=InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N}}
{{#set: smiles=C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(=O)[O-]}}
+
{{#set: common name=glycine betaine}}
{{#set: inchi key=InChIKey=XOHUEYCVLUUEJJ-UWTATZPHSA-I}}
+
{{#set: molecular weight=117.147   }}
{{#set: common name=2,3-diphospho-D-glycerate}}
+
{{#set: common name=oxyneurine|lycine|acidin-pepsin|betaine|trimethylammonioacetate|N,N,N-trimethylglycine}}
{{#set: molecular weight=260.998   }}
+
{{#set: produced by=RXN-13406}}
{{#set: common name=2,3-bisphosphoglycerate|D-Greenwald ester|2,3-P2-D-glycerate|2,3-bisphospho-D-glycerate|2,3-diphosphoglycerate|DPG|2,3-bisPGA}}
+
{{#set: reversible reaction associated=BADH-RXN}}
{{#set: reversible reaction associated=RXN-15512|RXN-15509|RXN-15510|RXN-15511}}
+

Latest revision as of 19:59, 21 March 2018

Metabolite BETAINE

  • smiles:
    • C[N+](C)(CC([O-])=O)C
  • inchi key:
    • InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
  • common name:
    • glycine betaine
  • molecular weight:
    • 117.147
  • Synonym(s):
    • oxyneurine
    • lycine
    • acidin-pepsin
    • betaine
    • trimethylammonioacetate
    • N,N,N-trimethylglycine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 107-43-7
  • METABOLIGHTS : MTBLC17750
  • PUBCHEM:
  • HMDB : HMDB00043
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : 35786
  • BIGG : glyb
"C[N+](C)(CC([O-])=O)C" cannot be used as a page name in this wiki.