Difference between revisions of "CPD-7221"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-905 RXN-905] == * direction: ** LEFT-TO-RIGHT * common name: ** 6-phosphogluconate dehydrogenas...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] == * smiles: ** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-905 RXN-905] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O
 +
* inchi key:
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** InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
 
* common name:
 
* common name:
** 6-phosphogluconate dehydrogenase, C-terminal-like
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** 3-cis-dodecenoyl-CoA
** 3-hydroxyacyl-CoA dehydrogenase
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* molecular weight:
* ec number:
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** 943.792   
** [http://enzyme.expasy.org/EC/1.1.1.35 EC-1.1.1.35]
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* Synonym(s):
 
* Synonym(s):
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** 12:1(n-9)
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** 12:1 cis-3
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** cis-3-dodecenoyl-CoA
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** (3Z)-dodecenoyl-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 [[CARBOXYMETHYL-HYDROXYPHENYLPROPCOA]][c] '''+''' 1 [[NAD]][c] '''=>''' 1 [[NADH]][c] '''+''' 1 [[BENZOYLSUCCINYL-COA]][c] '''+''' 1 [[PROTON]][c]
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== Reaction(s) of unknown directionality ==
* With common name(s):
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* [[RXN-7931]]
** 1 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA[c] '''+''' 1 NAD+[c] '''=>''' 1 NADH[c] '''+''' 1 benzoylsuccinyl-CoA[c] '''+''' 1 H+[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: [[Ec-14_006530]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: GO-TERM
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* Gene: [[Ec-19_005290]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: EC-NUMBER
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== Pathways  ==
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* [[PWY-81]], toluene degradation to benzoyl-CoA (anaerobic): [http://metacyc.org/META/NEW-IMAGE?object=PWY-81 PWY-81]
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** '''2''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: common name=6-phosphogluconate dehydrogenase, C-terminal-like}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659197 90659197]
{{#set: common name=3-hydroxyacyl-CoA dehydrogenase}}
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* CHEBI:
{{#set: ec number=EC-1.1.1.35}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27989 27989]
{{#set: gene associated=Ec-14_006530|Ec-19_005290}}
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* LIGAND-CPD:
{{#set: in pathway=PWY-81}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02944 C02944]
{{#set: reconstruction category=annotation}}
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* HMDB : HMDB04257
{{#set: reconstruction source=annotation-esiliculosus_genome}}
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{{#set: smiles=CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O}}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: inchi key=InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J}}
 +
{{#set: common name=3-cis-dodecenoyl-CoA}}
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{{#set: molecular weight=943.792    }}
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{{#set: common name=12:1(n-9)|12:1 cis-3|cis-3-dodecenoyl-CoA|(3Z)-dodecenoyl-CoA}}
 +
{{#set: reversible reaction associated=RXN-7931}}

Latest revision as of 19:47, 21 March 2018

Metabolite CPD-7221

  • smiles:
    • CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O
  • inchi key:
    • InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
  • common name:
    • 3-cis-dodecenoyl-CoA
  • molecular weight:
    • 943.792
  • Synonym(s):
    • 12:1(n-9)
    • 12:1 cis-3
    • cis-3-dodecenoyl-CoA
    • (3Z)-dodecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O" cannot be used as a page name in this wiki.