Difference between revisions of "CPD-11521"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-7719 RXN-7719] == * direction: ** REVERSIBLE * common name: ** 3-methyl-2-oxobutanoate_dehydrog...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11521 CPD-11521] == * smiles: ** CCC=CCC4(C(=O)CCC(CCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-7719 RXN-7719] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11521 CPD-11521] ==
* direction:
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* smiles:
** REVERSIBLE
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** CCC=CCC4(C(=O)CCC(CCCCCC(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-])=O)4)
 
* common name:
 
* common name:
** 3-methyl-2-oxobutanoate_dehydrogenase
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** OPC6-CoA
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/1.8.1.4 EC-1.8.1.4]
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** InChIKey=VWFUYQVGVAEVNH-CNALLRBTSA-J
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* molecular weight:
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** 1011.867   
 
* Synonym(s):
 
* Synonym(s):
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN-10706]]
** 1 [[BCAA-dehydrogenase-DH-lipoyl]][c] '''+''' 1 [[NAD]][c] '''<=>''' 1 [[PROTON]][c] '''+''' 1 [[BCAA-dehydrogenase-lipoyl]][c] '''+''' 1 [[NADH]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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* [[RXN-10699]]
** 1 an [apo BCAA dehydrogenase E2 protein] N6-dihydrolipoyl-L-lysine[c] '''+''' 1 NAD+[c] '''<=>''' 1 H+[c] '''+''' 1 an [apo BCAA dehydrogenase E2 protein] N6-lipoyl-L-lysine[c] '''+''' 1 NADH[c]
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== Reaction(s) of unknown directionality ==
 
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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_9330]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_11793]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_3260]]
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** EXPERIMENTAL_ANNOTATION
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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* [[PWY-5046]], 2-oxoisovalerate decarboxylation to isobutanoyl-CoA: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5046 PWY-5046]
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** '''3''' reactions found over '''3''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[esiliculosus]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
{{#set: common name=3-methyl-2-oxobutanoate_dehydrogenase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237133 44237133]
{{#set: ec number=EC-1.8.1.4}}
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{{#set: smiles=CCC=CCC4(C(=O)CCC(CCCCCC(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-])=O)4)}}
{{#set: gene associated=Tiso_gene_9330|Tiso_gene_11793|Tiso_gene_3260}}
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{{#set: common name=OPC6-CoA}}
{{#set: in pathway=PWY-5046}}
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{{#set: inchi key=InChIKey=VWFUYQVGVAEVNH-CNALLRBTSA-J}}
{{#set: reconstruction category=orthology}}
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{{#set: molecular weight=1011.867    }}
{{#set: reconstruction tool=pantograph}}
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{{#set: consumed by=RXN-10706}}
{{#set: reconstruction source=esiliculosus}}
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{{#set: produced by=RXN-10699}}
{{#set: reconstruction category=annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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Latest revision as of 21:19, 21 March 2018

Metabolite CPD-11521

  • smiles:
    • CCC=CCC4(C(=O)CCC(CCCCCC(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-])=O)4)
  • common name:
    • OPC6-CoA
  • inchi key:
    • InChIKey=VWFUYQVGVAEVNH-CNALLRBTSA-J
  • molecular weight:
    • 1011.867
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC4(C(=O)CCC(CCCCCC(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-])=O)4)" cannot be used as a page name in this wiki.