Difference between revisions of "CPD-13699"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[...")
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-342 RXN66-342] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-beta_hydroxysteroid_dehyd...")
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[[Category:Metabolite]]
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[[Category:Reaction]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13754 CPD-13754] ==
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-342 RXN66-342] ==
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* smiles:
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* direction:
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
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** LEFT-TO-RIGHT
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* inchi key:
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** InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J
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* common name:
 
* common name:
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** 3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
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** 3-beta_hydroxysteroid_dehydrogenase_isomerase
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* molecular weight:
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** ORF
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** 983.77   
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* ec number:
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** [http://enzyme.expasy.org/EC/1.1.1.145 EC-1.1.1.145]
 
* Synonym(s):
 
* Synonym(s):
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** HIP-CoA
 
  
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== Reaction(s) known to consume the compound ==
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== Reaction Formula ==
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* [[RXN-12747]]
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* With identifiers:
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== Reaction(s) known to produce the compound ==
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** 1 [[NAD]][c] '''+''' 1 [[3-BETA-HYDROXYANDROST-5-EN-17-ONE]][c] '''=>''' 1 [[NADH]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CPD66-29]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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** 1 NAD+[c] '''+''' 1 3-β-hydroxyandrost-5-en-17-one[c] '''=>''' 1 NADH[c] '''+''' 1 H+[c] '''+''' 1 5-androstene-3,17-dione[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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* Gene: [[Tiso_gene_11016]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_2957]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_897]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_18774]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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== Pathways  ==
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* [[PWY66-378]], androgen biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-378 PWY66-378]
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** '''2''' reactions found over '''6''' 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]]
 
== External links  ==
 
== External links  ==
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* PUBCHEM:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86289539 86289539]
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{{#set: common name=3-beta_hydroxysteroid_dehydrogenase_isomerase}}
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* CHEBI:
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{{#set: common name=ORF}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78357 78357]
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{{#set: ec number=EC-1.1.1.145}}
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
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{{#set: gene associated=Tiso_gene_11016|Tiso_gene_2957|Tiso_gene_897|Tiso_gene_18774}}
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{{#set: inchi key=InChIKey=IWNWMTZIJPUDPV-MDQHZGBLSA-J}}
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{{#set: in pathway=PWY66-378}}
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{{#set: common name=3-[(3aS,4S,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}}
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{{#set: reconstruction category=annotation}}
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{{#set: molecular weight=983.77    }}
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: common name=HIP-CoA}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: consumed by=RXN-12747}}
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Revision as of 15:58, 21 March 2018

Reaction RXN66-342

  • direction:
    • LEFT-TO-RIGHT
  • common name:
    • 3-beta_hydroxysteroid_dehydrogenase_isomerase
    • ORF
  • ec number:
  • Synonym(s):

Reaction Formula

Genes associated with this reaction

Genes have been associated with this reaction based on different elements listed below.

Pathways

  • PWY66-378, androgen biosynthesis: PWY66-378
    • 2 reactions found over 6 reactions in the full pathway

Reconstruction information

External links

Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-13699&oldid=37698"