Difference between revisions of "CPD-1081"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9651 RXN-9651] == * direction: ** LEFT-TO-RIGHT * common name: ** polyketide_synthase ** 3-oxoa...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] == * smiles: ** CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O...")
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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-9651 RXN-9651] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPALMITOYL-COA 3-OXOPALMITOYL-COA] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CCCCCCCCCCCCCC(=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-]
 
* common name:
 
* common name:
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** polyketide_synthase
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** 3-oxo-palmitoyl-CoA
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** 3-oxoacyl-synthase
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* inchi key:
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* ec number:
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** InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J
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** [http://enzyme.expasy.org/EC/2.3.1.86 EC-2.3.1.86]
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* molecular weight:
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** [http://enzyme.expasy.org/EC/2.3.1.85 EC-2.3.1.85]
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** 1015.898   
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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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** 3-keto-palmitoyl-CoA
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** 3-oxohexadecanoyl-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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* [[2.3.1.155-RXN]]
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** 1 [[MALONYL-COA]][c] '''+''' 1 [[Octanoyl-ACPs]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[3-oxo-decanoyl-ACPs]][c] '''+''' 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[CO-A]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[RXN-14271]]
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** 1 malonyl-CoA[c] '''+''' 1 an octanoyl-[acp][c] '''+''' 1 H+[c] '''=>''' 1 a 3-oxo-decanoyl-[acp][c] '''+''' 1 CO2[c] '''+''' 1 coenzyme A[c]
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* [[ACACT7m]]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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* [[ACACT7]]
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Genes have been associated with this reaction based on different elements listed below.
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* [[Tiso_gene_14485]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_19302]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_135]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_136]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_500]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_15991]]
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_13394]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_10876]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_5939]]
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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-5994]], palmitate biosynthesis I (animals and fungi): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5994 PWY-5994]
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** '''31''' reactions found over '''31''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-esiliculosus]]
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*** Tool: [[pantograph]]
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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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** Source: [[annotation-experimental_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* BIGG : 3ohdcoa
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{{#set: common name=polyketide_synthase}}
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* PUBCHEM:
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{{#set: common name=3-oxoacyl-synthase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244191 25244191]
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{{#set: ec number=EC-2.3.1.86}}
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* HMDB : HMDB06402
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{{#set: ec number=EC-2.3.1.85}}
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* LIGAND-CPD:
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{{#set: ec number=EC-2.3.1.41}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05259 C05259]
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{{#set: gene associated=Tiso_gene_14485|Tiso_gene_19302|Tiso_gene_135|Tiso_gene_136|Tiso_gene_500|Tiso_gene_15991|Tiso_gene_13394|Tiso_gene_10876|Tiso_gene_5939}}
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* CHEBI:
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{{#set: in pathway=PWY-5994}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57349 57349]
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{{#set: reconstruction category=orthology|annotation}}
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* METABOLIGHTS : MTBLC57349
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{{#set: reconstruction source=annotation-in-silico_annotation|annotation-experimental_annotation|orthology-esiliculosus}}
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{{#set: smiles=CCCCCCCCCCCCCC(=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-]}}
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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{{#set: common name=3-oxo-palmitoyl-CoA}}
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{{#set: inchi key=InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J}}
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{{#set: molecular weight=1015.898    }}
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{{#set: common name=3-keto-palmitoyl-CoA|3-oxohexadecanoyl-CoA}}
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{{#set: consumed by=2.3.1.155-RXN}}
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{{#set: produced by=RXN-14271|ACACT7m}}
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{{#set: reversible reaction associated=ACACT7}}

Revision as of 15:47, 21 March 2018

Metabolite 3-OXOPALMITOYL-COA

  • smiles:
    • CCCCCCCCCCCCCC(=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-]
  • common name:
    • 3-oxo-palmitoyl-CoA
  • inchi key:
    • InChIKey=NQMPLXPCRJOSHL-BBECNAHFSA-J
  • molecular weight:
    • 1015.898
  • Synonym(s):
    • 3-keto-palmitoyl-CoA
    • 3-oxohexadecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : 3ohdcoa
  • PUBCHEM:
  • HMDB : HMDB06402
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57349
"CCCCCCCCCCCCCC(=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-" cannot be used as a page name in this wiki.




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