Difference between revisions of "3-METHYL-CROTONYL-COA"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-7700 RXN-7700] == * direction: ** LEFT-TO-RIGHT * common name: ** polyketide_synthase ** ORF *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-7700 RXN-7700] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(=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-])C
 
* common name:
 
* common name:
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** polyketide_synthase
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** 3-methylcrotonyl-CoA
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** ORF
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* inchi key:
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* ec number:
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** InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
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** [http://enzyme.expasy.org/EC/1.1.1.1 EC-1.1.1.1]
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* molecular weight:
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** 845.604   
 
* Synonym(s):
 
* Synonym(s):
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** β-methylcrotonoyl-CoA
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** 3-methylbut-2-enoyl-CoA
  
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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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* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]]
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** 1 [[PHENYLACETALDEHYDE]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[NADH]][c] '''=>''' 1 [[NAD]][c] '''+''' 1 [[CPD-7035]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[RXN0-2301]]
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** 1 phenylacetaldehyde[c] '''+''' 1 H+[c] '''+''' 1 NADH[c] '''=>''' 1 NAD+[c] '''+''' 1 2-phenylethanol[c]
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* [[RXN-11921]]
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* [[IVCDH]]
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== Genes associated with this reaction  ==
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== Reaction(s) of unknown directionality ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[RXN-14264]]
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* [[Tiso_gene_6563]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_7649]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_5424]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_5425]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_6562]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-5079]], L-phenylalanine degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5079 PWY-5079]
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** '''2''' reactions found over '''4''' reactions in the full pathway
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* [[PWY-5751]], phenylethanol biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5751 PWY-5751]
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** '''2''' reactions found over '''5''' reactions in the full pathway
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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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?R02611 R02611]
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** [http://www.genome.jp/dbget-bin/www_bget?C03069 C03069]
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{{#set: direction=LEFT-TO-RIGHT}}
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* HMDB : HMDB01493
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{{#set: common name=polyketide_synthase}}
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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=57344 57344]
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{{#set: ec number=EC-1.1.1.1}}
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* METABOLIGHTS : MTBLC57344
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{{#set: gene associated=Tiso_gene_6563|Tiso_gene_7649|Tiso_gene_5424|Tiso_gene_5425|Tiso_gene_6562}}
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* PUBCHEM:
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{{#set: in pathway=PWY-5079|PWY-5751}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266575 45266575]
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{{#set: reconstruction category=annotation}}
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{{#set: smiles=CC(=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-])C}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=3-methylcrotonyl-CoA}}
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{{#set: reconstruction source=in-silico_annotation}}
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{{#set: inchi key=InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J}}
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{{#set: molecular weight=845.604    }}
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{{#set: common name=β-methylcrotonoyl-CoA|3-methylbut-2-enoyl-CoA}}
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{{#set: consumed by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}}
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{{#set: produced by=RXN0-2301|RXN-11921|IVCDH}}
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{{#set: reversible reaction associated=RXN-14264}}

Latest revision as of 20:54, 21 March 2018

Metabolite 3-METHYL-CROTONYL-COA

  • smiles:
    • CC(=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-])C
  • common name:
    • 3-methylcrotonyl-CoA
  • inchi key:
    • InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
  • molecular weight:
    • 845.604
  • Synonym(s):
    • β-methylcrotonoyl-CoA
    • 3-methylbut-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • HMDB : HMDB01493
  • CHEBI:
  • METABOLIGHTS : MTBLC57344
  • PUBCHEM:
"CC(=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-])C" cannot be used as a page name in this wiki.




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