Difference between revisions of "BETAINE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] == * smiles: ** C[N+](C)(CC([O-])=O)C * common name: ** glycine betaine * inch...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE BETAINE] ==
 
* smiles:
 
* smiles:
** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
+
** C[N+](C)(CC([O-])=O)C
 
* common name:
 
* common name:
** neolinustatin
+
** glycine betaine
 
* inchi key:
 
* inchi key:
** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
+
** InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 423.416    
+
** 117.147    
 
* Synonym(s):
 
* Synonym(s):
** butanenitrile
+
** oxyneurine
** [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]
+
** lycine
 +
** acidin-pepsin
 +
** betaine
 +
** trimethylammonioacetate
 +
** N,N,N-trimethylglycine
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13603]]
 
 
== 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 ==
 +
* [[BADH-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 107-43-7
 +
* BIGG : glyb
 +
* 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?C08336 C08336]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00719 C00719]
* HMDB : HMDB38482
+
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.242.html 242]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17750 17750]
* PUBCHEM:
+
* METABOLIGHTS : MTBLC17750
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
+
{{#set: smiles=C[N+](C)(CC([O-])=O)C}}
{{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}}
+
{{#set: common name=glycine betaine}}
{{#set: common name=neolinustatin}}
+
{{#set: inchi key=InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N}}
{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
+
{{#set: molecular weight=117.147   }}
{{#set: molecular weight=423.416   }}
+
{{#set: common name=oxyneurine|lycine|acidin-pepsin|betaine|trimethylammonioacetate|N,N,N-trimethylglycine}}
{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
+
{{#set: produced by=RXN-13406}}
{{#set: consumed by=RXN-13603}}
+
{{#set: reversible reaction associated=BADH-RXN}}

Latest revision as of 21:23, 21 March 2018

Metabolite BETAINE

  • smiles:
    • C[N+](C)(CC([O-])=O)C
  • common name:
    • glycine betaine
  • inchi key:
    • InChIKey=KWIUHFFTVRNATP-UHFFFAOYSA-N
  • 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
  • BIGG : glyb
  • PUBCHEM:
  • HMDB : HMDB00043
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17750
"C[N+](C)(CC([O-])=O)C" cannot be used as a page name in this wiki.