Difference between revisions of "CPD-13699"

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(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...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13699 CPD-13699] == * smiles: ** CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(O...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-342 RXN66-342] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13699 CPD-13699] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
 
* common name:
 
* common name:
** 3-beta_hydroxysteroid_dehydrogenase_isomerase
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** 3,22-dioxochol-4-en-24-oyl-CoA
** ORF
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* inchi key:
* ec number:
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** InChIKey=MUOUYOUSQGFFIP-GDRSPGQTSA-J
** [http://enzyme.expasy.org/EC/1.1.1.145 EC-1.1.1.145]
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* molecular weight:
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** 1132.017   
 
* Synonym(s):
 
* Synonym(s):
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN-12710]]
** 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) known to produce the compound ==
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 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]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: common name=3-beta_hydroxysteroid_dehydrogenase_isomerase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658756 90658756]
{{#set: common name=ORF}}
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* CHEBI:
{{#set: ec number=EC-1.1.1.145}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=86014 86014]
{{#set: gene associated=Tiso_gene_11016|Tiso_gene_2957|Tiso_gene_897|Tiso_gene_18774}}
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{{#set: smiles=CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}}
{{#set: in pathway=PWY66-378}}
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{{#set: common name=3,22-dioxochol-4-en-24-oyl-CoA}}
{{#set: reconstruction category=annotation}}
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{{#set: inchi key=InChIKey=MUOUYOUSQGFFIP-GDRSPGQTSA-J}}
{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: molecular weight=1132.017    }}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: consumed by=RXN-12710}}

Latest revision as of 20:15, 21 March 2018

Metabolite CPD-13699

  • smiles:
    • CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
  • common name:
    • 3,22-dioxochol-4-en-24-oyl-CoA
  • inchi key:
    • InChIKey=MUOUYOUSQGFFIP-GDRSPGQTSA-J
  • molecular weight:
    • 1132.017
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))" cannot be used as a page name in this wiki.