Difference between revisions of "RXN3DJ-11417"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=1.2.4.4-RXN 1.2.4.4-RXN] == * direction: ** REVERSIBLE * common name: ** 3-methyl-2-oxobutanoate_de...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4578 CPD-4578] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=1.2.4.4-RXN 1.2.4.4-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4578 CPD-4578] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))
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* inchi key:
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** InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N
 
* common name:
 
* common name:
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** 3-methyl-2-oxobutanoate_dehydrogenase
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** 3-dehydro-4-methylzymosterol
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** 2-oxoisovalerate_dehydrogenase_alpha_subunit_mitochondrial
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* molecular weight:
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* ec number:
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** 396.655   
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** [http://enzyme.expasy.org/EC/1.2.4.4 EC-1.2.4.4]
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* Synonym(s):
 
* Synonym(s):
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** 4α-methyl-5α-cholesta-8,24-dien-3-one
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** 3-keto-4-methylzymosterol
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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== Reaction(s) known to produce the compound ==
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** 1 [[PROTON]][c] '''+''' 1 [[2-KETO-ISOVALERATE]][c] '''+''' 1 [[BCAA-dehydrogenase-lipoyl]][c] '''<=>''' 1 [[BCAA-dehydrogenase-2MP-DH-lipoyl]][c] '''+''' 1 [[CARBON-DIOXIDE]][c]
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* [[RXN66-313]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 H+[c] '''+''' 1 3-methyl-2-oxobutanoate[c] '''+''' 1 an [apo BCAA dehydrogenase E2 protein] N6-lipoyl-L-lysine[c] '''<=>''' 1 an [apo BCAA dehydrogenase E2 protein] N6-S-[2-methylpropanoyl]dihydrolipoyl-L-lysine[c] '''+''' 1 CO2[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_18084]]
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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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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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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  ==
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* LIGAND-RXN:
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?R01701 R01701]
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** [http://www.genome.jp/dbget-bin/www_bget?C15816 C15816]
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* UNIPROT:
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* CHEBI:
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** [http://www.uniprot.org/uniprot/P21839 P21839]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50593 50593]
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** [http://www.uniprot.org/uniprot/P21953 P21953]
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* METABOLIGHTS : MTBLC50593
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** [http://www.uniprot.org/uniprot/P37940 P37940]
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* PUBCHEM:
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** [http://www.uniprot.org/uniprot/Q9PK54 Q9PK54]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22298939 22298939]
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** [http://www.uniprot.org/uniprot/P37941 P37941]
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* HMDB : HMDB06838
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** [http://www.uniprot.org/uniprot/P11178 P11178]
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{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))}}
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** [http://www.uniprot.org/uniprot/P12694 P12694]
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{{#set: inchi key=InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N}}
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** [http://www.uniprot.org/uniprot/P09061 P09061]
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{{#set: common name=3-dehydro-4-methylzymosterol}}
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** [http://www.uniprot.org/uniprot/P09060 P09060]
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{{#set: molecular weight=396.655    }}
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** [http://www.uniprot.org/uniprot/P11960 P11960]
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{{#set: common name=4&alpha;-methyl-5&alpha;-cholesta-8,24-dien-3-one|3-keto-4-methylzymosterol}}
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** [http://www.uniprot.org/uniprot/O84344 O84344]
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{{#set: produced by=RXN66-313}}
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** [http://www.uniprot.org/uniprot/Q9Z9E8 Q9Z9E8]
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** [http://www.uniprot.org/uniprot/Q9I1M2 Q9I1M2]
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** [http://www.uniprot.org/uniprot/P35738 P35738]
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** [http://www.uniprot.org/uniprot/P50136 P50136]
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** [http://www.uniprot.org/uniprot/O48615 O48615]
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** [http://www.uniprot.org/uniprot/O03849 O03849]
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** [http://www.uniprot.org/uniprot/Q53592 Q53592]
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** [http://www.uniprot.org/uniprot/Q53593 Q53593]
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** [http://www.uniprot.org/uniprot/O82450 O82450]
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=3-methyl-2-oxobutanoate_dehydrogenase}}
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{{#set: common name=2-oxoisovalerate_dehydrogenase_alpha_subunit_mitochondrial}}
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{{#set: ec number=EC-1.2.4.4}}
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{{#set: gene associated=Tiso_gene_18084|Tiso_gene_11793|Tiso_gene_3260}}
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{{#set: in pathway=PWY-5046}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=esiliculosus}}
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{{#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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Revision as of 18:30, 10 January 2018

Metabolite CPD-4578

  • smiles:
    • CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))
  • inchi key:
    • InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N
  • common name:
    • 3-dehydro-4-methylzymosterol
  • molecular weight:
    • 396.655
  • Synonym(s):
    • 4α-methyl-5α-cholesta-8,24-dien-3-one
    • 3-keto-4-methylzymosterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC50593
  • PUBCHEM:
  • HMDB : HMDB06838
"CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.



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