Difference between revisions of "CPD66-29"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-12078 RXN-12078] == * direction: ** REVERSIBLE * common name: ** oxidoreductase ** aldose_reduc...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-29 CPD66-29] == * smiles: ** CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4) *...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-12078 RXN-12078] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-29 CPD66-29] ==
* direction:
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* smiles:
** REVERSIBLE
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** CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)
 
* common name:
 
* common name:
** oxidoreductase
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** 5-androstene-3,17-dione
** aldose_reductase
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* inchi key:
** aldo_keto_reductase
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** InChIKey=SQGZFRITSMYKRH-QAGGRKNESA-N
* ec number:
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* molecular weight:
** [http://enzyme.expasy.org/EC/1.1.1.21 EC-1.1.1.21]
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** 286.413   
 
* Synonym(s):
 
* Synonym(s):
 +
** androst-5-ene-3,17-dione
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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== Reaction(s) known to produce the compound ==
** 1 [[NADP]][c] '''+''' 1 [[GALACTITOL]][c] '''<=>''' 1 [[PROTON]][c] '''+''' 1 [[D-galactopyranose]][c] '''+''' 1 [[NADPH]][c]
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* [[RXN66-342]]
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 NADP+[c] '''+''' 1 galactitol[c] '''<=>''' 1 H+[c] '''+''' 1 D-galactopyranose[c] '''+''' 1 NADPH[c]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[Tiso_gene_18748]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_7799]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_7800]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_8988]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-6693]], D-galactose degradation IV: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6693 PWY-6693]
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** '''1''' reactions found over '''3''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
* LIGAND-RXN:
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* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?R01095 R01095]
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** [http://www.genome.jp/dbget-bin/www_bget?C20252 C20252]
{{#set: direction=REVERSIBLE}}
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* CHEMSPIDER:
{{#set: common name=oxidoreductase}}
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** [http://www.chemspider.com/Chemical-Structure.543261.html 543261]
{{#set: common name=aldose_reductase}}
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* CHEBI:
{{#set: common name=aldo_keto_reductase}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83865 83865]
{{#set: ec number=EC-1.1.1.21}}
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* PUBCHEM:
{{#set: gene associated=Tiso_gene_18748|Tiso_gene_7799|Tiso_gene_7800|Tiso_gene_8988}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=160531 160531]
{{#set: in pathway=PWY-6693}}
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{{#set: smiles=CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)}}
{{#set: reconstruction category=annotation}}
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{{#set: common name=5-androstene-3,17-dione}}
{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: inchi key=InChIKey=SQGZFRITSMYKRH-QAGGRKNESA-N}}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: molecular weight=286.413    }}
 +
{{#set: common name=androst-5-ene-3,17-dione}}
 +
{{#set: produced by=RXN66-342}}

Latest revision as of 20:20, 21 March 2018

Metabolite CPD66-29

  • smiles:
    • CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)
  • common name:
    • 5-androstene-3,17-dione
  • inchi key:
    • InChIKey=SQGZFRITSMYKRH-QAGGRKNESA-N
  • molecular weight:
    • 286.413
  • Synonym(s):
    • androst-5-ene-3,17-dione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)" cannot be used as a page name in this wiki.