Difference between revisions of "RXN-9558"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APIGENIN APIGENIN] == * smiles: ** C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O) * inchi key...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] == * smiles: ** CC(C([O-])=O)CO * common name: ** (S)-3-hydroxy-isobutanoa...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=APIGENIN APIGENIN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] ==
 
* smiles:
 
* smiles:
** C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)
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** CC(C([O-])=O)CO
* inchi key:
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** InChIKey=YQHMWTPYORBCMF-ZZXKWVIFSA-N
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* common name:
 
* common name:
** 2',4,4',6'-tetrahydroxychalcone
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** (S)-3-hydroxy-isobutanoate
 +
* inchi key:
 +
** InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
 
* molecular weight:
 
* molecular weight:
** 272.257    
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** 103.097    
 
* Synonym(s):
 
* Synonym(s):
** naringenin chalcone
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** (S)-3-hydroxy-2-methylpropanoate
** chalconaringenin
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** (S)-3-Hydroxyisobutyric acid
** 2'4'6'4-Tetrahydroxychalcone
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** (S)-3-OH-iso-but
** Isosalipurpol
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** (S)-3-OH-isobutyrate
** tetrahydroxychalcone
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** (S)-3-hydroxy-isobutyrate
** 3-(4-hydroxyphemyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[APIGNAR-RXN]]
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* [[3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 73692-50-9
 
* LIPID_MAPS : LMPK12120264
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280960 5280960]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18637352 18637352]
* HMDB : HMDB29631
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* HMDB : HMDB00023
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C06561 C06561]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4444447.html 4444447]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15413 15413]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62638 62638]
* METABOLIGHTS : MTBLC15413
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* LIGAND-CPD:
{{#set: smiles=C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06001 C06001]
{{#set: inchi key=InChIKey=YQHMWTPYORBCMF-ZZXKWVIFSA-N}}
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{{#set: smiles=CC(C([O-])=O)CO}}
{{#set: common name=2',4,4',6'-tetrahydroxychalcone}}
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{{#set: common name=(S)-3-hydroxy-isobutanoate}}
{{#set: molecular weight=272.257   }}
+
{{#set: inchi key=InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M}}
{{#set: common name=naringenin chalcone|chalconaringenin|2'4'6'4-Tetrahydroxychalcone|Isosalipurpol|tetrahydroxychalcone|3-(4-hydroxyphemyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one}}
+
{{#set: molecular weight=103.097   }}
{{#set: consumed by=APIGNAR-RXN}}
+
{{#set: common name=(S)-3-hydroxy-2-methylpropanoate|(S)-3-Hydroxyisobutyric acid|(S)-3-OH-iso-but|(S)-3-OH-isobutyrate|(S)-3-hydroxy-isobutyrate}}
 +
{{#set: consumed by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
 +
{{#set: produced by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}

Revision as of 16:57, 21 March 2018

Metabolite CPD-12175

  • smiles:
    • CC(C([O-])=O)CO
  • common name:
    • (S)-3-hydroxy-isobutanoate
  • inchi key:
    • InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
  • molecular weight:
    • 103.097
  • Synonym(s):
    • (S)-3-hydroxy-2-methylpropanoate
    • (S)-3-Hydroxyisobutyric acid
    • (S)-3-OH-iso-but
    • (S)-3-OH-isobutyrate
    • (S)-3-hydroxy-isobutyrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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