Difference between revisions of "BETAINE-ALDEHYDE-HYDRATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOATE BENZOATE] == * smiles: ** C(C1(C=CC=CC=1))([O-])=O * inchi key: ** InChIKey=WPYMKLBDIG...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE-ALDEHYDE-HYDRATE BETAINE-ALDEHYDE-HYDRATE] == * smiles: ** C[N+](C)(CC(O)O)C * inchi ke...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOATE BENZOATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETAINE-ALDEHYDE-HYDRATE BETAINE-ALDEHYDE-HYDRATE] ==
 
* smiles:
 
* smiles:
** C(C1(C=CC=CC=1))([O-])=O
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** C[N+](C)(CC(O)O)C
 
* inchi key:
 
* inchi key:
** InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
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** InChIKey=HEHORKLRCFPRON-UHFFFAOYSA-N
 
* common name:
 
* common name:
** benzoate
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** betaine aldehyde hydrate
 
* molecular weight:
 
* molecular weight:
** 121.115    
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** 120.171    
 
* Synonym(s):
 
* Synonym(s):
** benzoic acid
 
** benzenecarboxylic acid
 
** phenylformic 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 ==
* [[BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
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* [[RXN-6268]]
 
== External links  ==
 
== External links  ==
* CAS : 65-85-0
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=242 242]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6395359 6395359]
* HMDB : HMDB01870
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00180 C00180]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.237.html 237]
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** [http://www.chemspider.com/Chemical-Structure.4909131.html 4909131]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16150 16150]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15870 15870]
* METABOLIGHTS : MTBLC16150
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* LIGAND-CPD:
{{#set: smiles=C(C1(C=CC=CC=1))([O-])=O}}
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** [http://www.genome.jp/dbget-bin/www_bget?C07345 C07345]
{{#set: inchi key=InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M}}
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{{#set: smiles=C[N+](C)(CC(O)O)C}}
{{#set: common name=benzoate}}
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{{#set: inchi key=InChIKey=HEHORKLRCFPRON-UHFFFAOYSA-N}}
{{#set: molecular weight=121.115   }}
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{{#set: common name=betaine aldehyde hydrate}}
{{#set: common name=benzoic acid|benzenecarboxylic acid|phenylformic acid}}
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{{#set: molecular weight=120.171   }}
{{#set: produced by=BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN}}
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{{#set: reversible reaction associated=RXN-6268}}
{{#set: reversible reaction associated=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}}
+

Latest revision as of 20:07, 21 March 2018

Metabolite BETAINE-ALDEHYDE-HYDRATE

  • smiles:
    • C[N+](C)(CC(O)O)C
  • inchi key:
    • InChIKey=HEHORKLRCFPRON-UHFFFAOYSA-N
  • common name:
    • betaine aldehyde hydrate
  • molecular weight:
    • 120.171
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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