Difference between revisions of "CPD-15979"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=2.1.1.77-RXN 2.1.1.77-RXN] == * direction: ** LEFT-TO-RIGHT * common name: ** ORF ** l-isoaspartyl_...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] == * smiles: ** CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=2.1.1.77-RXN 2.1.1.77-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-196 CPD-196] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CCCCCCCC(=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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** ORF
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** octanoyl-CoA
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** l-isoaspartyl_proteincarboxylmethyltransferase
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* inchi key:
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* ec number:
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** InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
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** [http://enzyme.expasy.org/EC/2.1.1.77 EC-2.1.1.77]
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* molecular weight:
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** 889.7   
 
* Synonym(s):
 
* Synonym(s):
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** Octanoyl-CoA (n-C8:0CoA)
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** capryloyl-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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* [[RXN-12669]]
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** 1 [[S-ADENOSYLMETHIONINE]][c] '''+''' 1 [[PROTEIN-L-BETA-ISOASPARTATES]][c] '''=>''' 1 [[ADENOSYL-HOMO-CYS]][c] '''+''' 1 [[PROTEIN-L-BETA-ISOSPARTATE-METHYL-ESTERS]][c]
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* [[ACOA80or]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 S-adenosyl-L-methionine[c] '''+''' 1 a [protein]-L-β-isoaspartate[c] '''=>''' 1 S-adenosyl-L-homocysteine[c] '''+''' 1 a protein L-β-isoaspartate α-methyl ester[c]
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* [[RXN-13617]]
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* [[R223-RXN]]
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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-14229]]
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* [[Tiso_gene_12221]]
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* [[ACACT4]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_6376]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_16936]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_16935]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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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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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* BIGG : occoa
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** [http://www.genome.jp/dbget-bin/www_bget?R04190 R04190]
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* PUBCHEM:
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* UNIPROT:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245711 25245711]
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** [http://www.uniprot.org/uniprot/P22062 P22062]
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* HMDB : HMDB01070
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** [http://www.uniprot.org/uniprot/P22061 P22061]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P15246 P15246]
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** [http://www.genome.jp/dbget-bin/www_bget?C01944 C01944]
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** [http://www.uniprot.org/uniprot/Q9JW29 Q9JW29]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/Q9PIR6 Q9PIR6]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57386 57386]
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** [http://www.uniprot.org/uniprot/P23506 P23506]
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* METABOLIGHTS : MTBLC57386
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** [http://www.uniprot.org/uniprot/P0A7A5 P0A7A5]
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{{#set: smiles=CCCCCCCC(=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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** [http://www.uniprot.org/uniprot/Q43209 Q43209]
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{{#set: common name=octanoyl-CoA}}
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** [http://www.uniprot.org/uniprot/Q42539 Q42539]
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{{#set: inchi key=InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J}}
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** [http://www.uniprot.org/uniprot/Q27873 Q27873]
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{{#set: molecular weight=889.7    }}
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** [http://www.uniprot.org/uniprot/Q9URZ1 Q9URZ1]
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{{#set: common name=Octanoyl-CoA (n-C8:0CoA)|capryloyl-CoA}}
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{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: consumed by=RXN-12669|ACOA80or}}
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{{#set: common name=ORF}}
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{{#set: produced by=RXN-13617|R223-RXN}}
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{{#set: common name=l-isoaspartyl_proteincarboxylmethyltransferase}}
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{{#set: reversible reaction associated=RXN-14229|ACACT4}}
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{{#set: ec number=EC-2.1.1.77}}
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{{#set: gene associated=Tiso_gene_12221|Tiso_gene_6376|Tiso_gene_16936|Tiso_gene_16935}}
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{{#set: in pathway=}}
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{{#set: reconstruction category=orthology|annotation}}
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{{#set: reconstruction source=annotation-in-silico_annotation|orthology-esiliculosus}}
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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Revision as of 16:08, 21 March 2018

Metabolite CPD-196

  • smiles:
    • CCCCCCCC(=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:
    • octanoyl-CoA
  • inchi key:
    • InChIKey=KQMZYOXOBSXMII-CECATXLMSA-J
  • molecular weight:
    • 889.7
  • Synonym(s):
    • Octanoyl-CoA (n-C8:0CoA)
    • capryloyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : occoa
  • PUBCHEM:
  • HMDB : HMDB01070
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57386
"CCCCCCCC(=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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