Difference between revisions of "CPD-7221"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN1G-1050 RXN1G-1050] == * direction: ** LEFT-TO-RIGHT * common name: ** cis,cis-delta13,31-3-oxo-...")
(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=RXN1G-1050 RXN1G-1050] ==
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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
 
* common name:
 
* common name:
** cis,cis-delta13,31-3-oxo-C50:2-[acyl-carrier protein] reductase
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** 3-cis-dodecenoyl-CoA
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/1.1.1.M9 EC-1.1.1.M9]
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** InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
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* molecular weight:
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** 943.792   
 
* 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 [[cis-cis-D13-31-3-oxo-C50-2-ACPs]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[NADPH]][c] '''=>''' 1 [[NADP]][c] '''+''' 1 [[cis-cis-D13-31-3-hydroxyC50-2-ACPs]][c]
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* [[RXN-14394]]
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 a cis,cis-delta13,31-3-oxo-C50:2-[acp][c] '''+''' 1 H+[c] '''+''' 1 NADPH[c] '''=>''' 1 NADP+[c] '''+''' 1 a cis,cis-delta13,31-3-hydroxy C50:2-[acp][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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* [[Tiso_gene_13083]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWYG-321]], mycolate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWYG-321 PWYG-321]
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** '''86''' reactions found over '''182''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[esiliculosus]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: common name=cis,cis-delta13,31-3-oxo-C50:2-[acyl-carrier protein] reductase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659197 90659197]
{{#set: ec number=EC-1.1.1.M9}}
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* HMDB : HMDB04257
{{#set: gene associated=Tiso_gene_13083}}
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* CHEBI:
{{#set: in pathway=PWYG-321}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27989 27989]
{{#set: reconstruction category=orthology}}
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* LIGAND-CPD:
{{#set: reconstruction tool=pantograph}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02944 C02944]
{{#set: reconstruction source=esiliculosus}}
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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}}
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{{#set: common name=3-cis-dodecenoyl-CoA}}
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{{#set: inchi key=InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J}}
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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}}
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{{#set: produced by=RXN-14394}}

Latest revision as of 20:09, 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
  • common name:
    • 3-cis-dodecenoyl-CoA
  • inchi key:
    • InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
  • 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.