Difference between revisions of "CPD-6972"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=3.5.5.1-RXN 3.5.5.1-RXN] == * direction: ** REVERSIBLE * common name: ** nitrilase * ec number: **...")
 
 
(One intermediate revision 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=3.5.5.1-RXN 3.5.5.1-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O
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* molecular weight:
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** 966.676   
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* inchi key:
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** InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I
 
* common name:
 
* common name:
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** nitrilase
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** 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
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* ec number:
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** [http://enzyme.expasy.org/EC/3.5.5.1 EC-3.5.5.1]
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* Synonym(s):
 
* Synonym(s):
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** succinylbenzoyl-CoA
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** 2-succinylbenzoyl-CoA
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** 2-(3'-carboxypropionyl)benzoyl-CoA
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** o-succinylbenzoyl-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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* [[NAPHTHOATE-SYN-RXN]]
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** 1 [[Nitriles]][c] '''+''' 2 [[WATER]][c] '''<=>''' 1 [[AMMONIUM]][c] '''+''' 1 [[Carboxylates]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 a nitrile[c] '''+''' 2 H2O[c] '''<=>''' 1 ammonium[c] '''+''' 1 a carboxylate[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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* [[CHC_T00008379001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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* [[CHC_T00008379001]]
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** ORIGINAL_GENOME
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[galdieria.sulphuraria]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[original_genome]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* CHEBI:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=21724 21724]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15509 15509]
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* LIGAND-RXN:
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* BIGG : sbzcoa
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** [http://www.genome.jp/dbget-bin/www_bget?R00540 R00540]
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* PUBCHEM:
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* UNIPROT:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245100 25245100]
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** [http://www.uniprot.org/uniprot/P10045 P10045]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P20960 P20960]
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** [http://www.genome.jp/dbget-bin/www_bget?C03160 C03160]
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** [http://www.uniprot.org/uniprot/Q59329 Q59329]
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{{#set: smiles=CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O}}
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** [http://www.uniprot.org/uniprot/P32961 P32961]
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{{#set: molecular weight=966.676    }}
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** [http://www.uniprot.org/uniprot/P32962 P32962]
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{{#set: inchi key=InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I}}
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** [http://www.uniprot.org/uniprot/Q55949 Q55949]
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{{#set: common name=4-(2'-carboxyphenyl)-4-oxobutyryl-CoA}}
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** [http://www.uniprot.org/uniprot/Q42965 Q42965]
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{{#set: common name=succinylbenzoyl-CoA|2-succinylbenzoyl-CoA|2-(3'-carboxypropionyl)benzoyl-CoA|o-succinylbenzoyl-CoA}}
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** [http://www.uniprot.org/uniprot/Q42966 Q42966]
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{{#set: consumed by=NAPHTHOATE-SYN-RXN}}
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** [http://www.uniprot.org/uniprot/Q23384 Q23384]
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** [http://www.uniprot.org/uniprot/P46010 P46010]
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** [http://www.uniprot.org/uniprot/O04907 O04907]
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** [http://www.uniprot.org/uniprot/P46011 P46011]
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=nitrilase}}
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{{#set: ec number=EC-3.5.5.1}}
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{{#set: gene associated=CHC_T00008379001_1|CHC_T00008379001}}
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{{#set: in pathway=}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=galdieria.sulphuraria}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reconstruction source=original_genome}}
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Latest revision as of 18:47, 9 January 2019

Metabolite CPD-6972

  • smiles:
    • CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O
  • molecular weight:
    • 966.676
  • inchi key:
    • InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I
  • common name:
    • 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
  • Synonym(s):
    • succinylbenzoyl-CoA
    • 2-succinylbenzoyl-CoA
    • 2-(3'-carboxypropionyl)benzoyl-CoA
    • o-succinylbenzoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O" cannot be used as a page name in this wiki.



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