Difference between revisions of "2-METHYL-ACETO-ACETYL-COA"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9648 RXN-9648] == * direction: ** LEFT-TO-RIGHT * common name: ** Beta-ketoacyl synthase, N-ter...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-ACETO-ACETYL-COA 2-METHYL-ACETO-ACETYL-COA] == * smiles: ** CC(C(SCCNC(=O)CCNC(=O)C(O)...")
 
(2 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-9648 RXN-9648] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-ACETO-ACETYL-COA 2-METHYL-ACETO-ACETYL-COA] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(C(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)C(=O)C
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* inchi key:
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** InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J
 
* common name:
 
* common name:
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** Beta-ketoacyl synthase, N-terminal
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** 2-methylacetoacetyl-CoA
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** Thiolase-like, subgroup
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* molecular weight:
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** beta-ketoacyl synthase, partial
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** 861.604   
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** 3-oxoacyl-[acyl-carrier-protein] synthase
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* ec number:
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** [http://enzyme.expasy.org/EC/2.3.1.86 EC-2.3.1.86]
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** [http://enzyme.expasy.org/EC/2.3.1.85 EC-2.3.1.85]
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** [http://enzyme.expasy.org/EC/2.3.1.41 EC-2.3.1.41]
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* Synonym(s):
 
* Synonym(s):
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** 2-methyl-3-acetoacetyl-CoA
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** 2-methylacetoacetyl coenzyme A
  
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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 [[Butanoyl-ACPs]][c] '''+''' 1 [[MALONYL-COA]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[3-oxo-hexanoyl-ACPs]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[CARBON-DIOXIDE]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[METHYLACETOACETYLCOATHIOL-RXN]]
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** 1 a butyryl-[acp][c] '''+''' 1 malonyl-CoA[c] '''+''' 1 H+[c] '''=>''' 1 a 3-oxo-hexanoyl-[acp][c] '''+''' 1 coenzyme A[c] '''+''' 1 CO2[c]
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* [[1.1.1.178-RXN]]
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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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* [[Ec-27_003480]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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* [[Ec-27_002090]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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* [[Ec-12_000650]]
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** ESILICULOSUS_GENOME
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***GO-TERM
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* [[Ec-12_000640]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-5994]], palmitate biosynthesis I (animals and fungi): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5994 PWY-5994]
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** '''20''' reactions found over '''31''' 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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*** [[esiliculosus_genome]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* CAS : 6712-01-2
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{{#set: common name=Beta-ketoacyl synthase, N-terminal}}
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* PUBCHEM:
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{{#set: common name=Thiolase-like, subgroup}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266568 45266568]
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{{#set: common name=beta-ketoacyl synthase, partial}}
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* HMDB : HMDB01157
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{{#set: common name=3-oxoacyl-[acyl-carrier-protein] synthase}}
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* LIGAND-CPD:
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{{#set: ec number=EC-2.3.1.86}}
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** [http://www.genome.jp/dbget-bin/www_bget?C03344 C03344]
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{{#set: ec number=EC-2.3.1.85}}
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* CHEBI:
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{{#set: ec number=EC-2.3.1.41}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57335 57335]
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{{#set: gene associated=Ec-27_003480|Ec-27_002090|Ec-12_000650|Ec-12_000640}}
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* METABOLIGHTS : MTBLC57335
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{{#set: in pathway=PWY-5994}}
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{{#set: smiles=CC(C(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)C(=O)C}}
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{{#set: reconstruction category=annotation}}
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{{#set: inchi key=InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=2-methylacetoacetyl-CoA}}
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{{#set: reconstruction source=esiliculosus_genome}}
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{{#set: molecular weight=861.604    }}
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{{#set: common name=2-methyl-3-acetoacetyl-CoA|2-methylacetoacetyl coenzyme A}}
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{{#set: reversible reaction associated=METHYLACETOACETYLCOATHIOL-RXN|1.1.1.178-RXN}}

Latest revision as of 19:36, 21 March 2018

Metabolite 2-METHYL-ACETO-ACETYL-COA

  • smiles:
    • CC(C(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)C(=O)C
  • inchi key:
    • InChIKey=NHNODHRSCRALBF-NQNBQJKNSA-J
  • common name:
    • 2-methylacetoacetyl-CoA
  • molecular weight:
    • 861.604
  • Synonym(s):
    • 2-methyl-3-acetoacetyl-CoA
    • 2-methylacetoacetyl coenzyme A

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 6712-01-2
  • PUBCHEM:
  • HMDB : HMDB01157
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57335
"CC(C(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)C(=O)C" cannot be used as a page name in this wiki.



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