Difference between revisions of "CPD-11495"

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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=CPD-11495 CPD-11495] == * smiles: ** C(=O)([O-])CC1(=CC=CC=C(O)1) * common name: ** 2-hydroxyph...")
 
(3 intermediate revisions by the same user not shown)
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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=CPD-11495 CPD-11495] ==
 
* smiles:
 
* smiles:
** C(C1(C=CC=CC=1))([O-])=O
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** C(=O)([O-])CC1(=CC=CC=C(O)1)
* inchi key:
+
** InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** benzoate
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** 2-hydroxyphenylacetate
 +
* inchi key:
 +
** InChIKey=CCVYRRGZDBSHFU-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 121.115    
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** 151.141    
 
* Synonym(s):
 
* Synonym(s):
** benzoic acid
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** 2-hydroxyphenylacetic acid
** benzenecarboxylic acid
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** benzeneacetic acid, 2-hydroxy-
** phenylformic acid
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** 2-hydroxybenzeneacetic acid
 +
** acetic acid, (o-hydroxyphenyl)-
 +
** o-hydroxy phenylacetic acid
 +
** o-hydroxyphenylacetate
 +
** o-hydroxyphenylacetic 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]]
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* [[RXN-10815]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN]]
 
 
== 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=6933325 6933325]
* 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.5307390.html 5307390]
 +
* HMDB : HMDB00669
 
* 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=62423 62423]
* 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?C05852 C05852]
{{#set: inchi key=InChIKey=WPYMKLBDIGXBTP-UHFFFAOYSA-M}}
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{{#set: smiles=C(=O)([O-])CC1(=CC=CC=C(O)1)}}
{{#set: common name=benzoate}}
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{{#set: common name=2-hydroxyphenylacetate}}
{{#set: molecular weight=121.115   }}
+
{{#set: inchi key=InChIKey=CCVYRRGZDBSHFU-UHFFFAOYSA-M}}
{{#set: common name=benzoic acid|benzenecarboxylic acid|phenylformic acid}}
+
{{#set: molecular weight=151.141   }}
{{#set: produced by=BENZALDEHYDE-DEHYDROGENASE-NADP+-RXN}}
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{{#set: common name=2-hydroxyphenylacetic acid|benzeneacetic acid, 2-hydroxy-|2-hydroxybenzeneacetic acid|acetic acid, (o-hydroxyphenyl)-|o-hydroxy phenylacetic acid|o-hydroxyphenylacetate|o-hydroxyphenylacetic acid}}
{{#set: consumed or produced by=BENZALDEHYDE-DEHYDROGENASE-NAD+-RXN}}
+
{{#set: produced by=RXN-10815}}

Latest revision as of 19:16, 21 March 2018

Metabolite CPD-11495

  • smiles:
    • C(=O)([O-])CC1(=CC=CC=C(O)1)
  • common name:
    • 2-hydroxyphenylacetate
  • inchi key:
    • InChIKey=CCVYRRGZDBSHFU-UHFFFAOYSA-M
  • molecular weight:
    • 151.141
  • Synonym(s):
    • 2-hydroxyphenylacetic acid
    • benzeneacetic acid, 2-hydroxy-
    • 2-hydroxybenzeneacetic acid
    • acetic acid, (o-hydroxyphenyl)-
    • o-hydroxy phenylacetic acid
    • o-hydroxyphenylacetate
    • o-hydroxyphenylacetic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])CC1(=CC=CC=C(O)1)" cannot be used as a page name in this wiki.