Difference between revisions of "CPD-15661"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYLENEBUTENOLIDASE-RXN CARBOXYMETHYLENEBUTENOLIDASE-RXN] == * direction: ** LEFT-TO-RIGHT...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15661 CPD-15661] == * smiles: ** CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYLENEBUTENOLIDASE-RXN CARBOXYMETHYLENEBUTENOLIDASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15661 CPD-15661] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CCCCCCC=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-]
 
* common name:
 
* common name:
** carboxymethylenebutenolidase
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** 2-trans, 4-trans-undecadienoyl-CoA
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/3.1.1.45 EC-3.1.1.45]
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** InChIKey=SZKPLUULGGERFD-MSNZEOPQSA-J
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* molecular weight:
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** 927.749   
 
* Synonym(s):
 
* Synonym(s):
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** 2E, 4E-undecadienoyl-CoA
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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== Reaction(s) known to produce the compound ==
** 1 [[WATER]][c] '''+''' 1 [[4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[CPD-294]][c]
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* [[RXN-14789]]
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 H2O[c] '''+''' 1 cis-dienelactone[c] '''=>''' 1 H+[c] '''+''' 1 2-maleylacetate[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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* Gene: [[Tiso_gene_12835]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: AUTOMATED-NAME-MATCH
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== Pathways  ==
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* [[PWY-6087]], 4-chlorocatechol degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6087 PWY-6087]
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** '''1''' reactions found over '''5''' reactions in the full pathway
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* [[PWY-6193]], 3-chlorocatechol degradation II (ortho): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6193 PWY-6193]
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** '''1''' reactions found over '''5''' reactions in the full pathway
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== Reconstruction information  ==
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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  ==
* RHEA:
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* PUBCHEM:
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=12372 12372]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658303 90658303]
* LIGAND-RXN:
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{{#set: smiles=CCCCCCC=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-]}}
** [http://www.genome.jp/dbget-bin/www_bget?R03893 R03893]
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{{#set: common name=2-trans, 4-trans-undecadienoyl-CoA}}
* UNIPROT:
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{{#set: inchi key=InChIKey=SZKPLUULGGERFD-MSNZEOPQSA-J}}
** [http://www.uniprot.org/uniprot/P0A114 P0A114]
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{{#set: molecular weight=927.749    }}
** [http://www.uniprot.org/uniprot/P27136 P27136]
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{{#set: common name=2E, 4E-undecadienoyl-CoA}}
** [http://www.uniprot.org/uniprot/P27100 P27100]
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{{#set: produced by=RXN-14789}}
** [http://www.uniprot.org/uniprot/P0A115 P0A115]
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** [http://www.uniprot.org/uniprot/P73163 P73163]
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** [http://www.uniprot.org/uniprot/Q9RPF5 Q9RPF5]
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** [http://www.uniprot.org/uniprot/Q9RPB2 Q9RPB2]
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{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: common name=carboxymethylenebutenolidase}}
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{{#set: ec number=EC-3.1.1.45}}
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{{#set: gene associated=Tiso_gene_12835}}
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{{#set: in pathway=PWY-6087|PWY-6193}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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Latest revision as of 21:04, 21 March 2018

Metabolite CPD-15661

  • smiles:
    • CCCCCCC=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-]
  • common name:
    • 2-trans, 4-trans-undecadienoyl-CoA
  • inchi key:
    • InChIKey=SZKPLUULGGERFD-MSNZEOPQSA-J
  • molecular weight:
    • 927.749
  • Synonym(s):
    • 2E, 4E-undecadienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=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-" cannot be used as a page name in this wiki.