Difference between revisions of "ACETATE--COA-LIGASE-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-IMIDAZOLEACETATE 4-IMIDAZOLEACETATE] == * smiles: ** C1(NC=C(CC(=O)[O-])N=1) * inchi key: **...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15692 CPD-15692] == * smiles: ** CCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-IMIDAZOLEACETATE 4-IMIDAZOLEACETATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15692 CPD-15692] ==
 
* smiles:
 
* smiles:
** C1(NC=C(CC(=O)[O-])N=1)
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** CCCCCCC=CCC(=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-]
 
* inchi key:
 
* inchi key:
** InChIKey=PRJKNHOMHKJCEJ-UHFFFAOYSA-M
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** InChIKey=CQGVNMQHZQJNII-ZJZQAHHTSA-J
 
* common name:
 
* common name:
** 4-imidazoleacetate
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** 3-trans-decenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 125.107    
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** 915.738    
 
* Synonym(s):
 
* Synonym(s):
** imidazole-4-acetate
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** 3E-decenoyl-CoA
** imidazoleacetic acid
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ALDH_im4ac]]
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* [[RXN-14803]]
* [[RXN-10089]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4139109 4139109]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657610 90657610]
* HMDB : HMDB02024
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C02835 C02835]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.3351679.html 3351679]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57969 57969]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84793 84793]
* METABOLIGHTS : MTBLC57969
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{{#set: smiles=CCCCCCC=CCC(=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-]}}
{{#set: smiles=C1(NC=C(CC(=O)[O-])N=1)}}
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{{#set: inchi key=InChIKey=CQGVNMQHZQJNII-ZJZQAHHTSA-J}}
{{#set: inchi key=InChIKey=PRJKNHOMHKJCEJ-UHFFFAOYSA-M}}
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{{#set: common name=3-trans-decenoyl-CoA}}
{{#set: common name=4-imidazoleacetate}}
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{{#set: molecular weight=915.738   }}
{{#set: molecular weight=125.107   }}
+
{{#set: common name=3E-decenoyl-CoA}}
{{#set: common name=imidazole-4-acetate|imidazoleacetic acid}}
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{{#set: produced by=RXN-14803}}
{{#set: produced by=ALDH_im4ac|RXN-10089}}
+

Revision as of 16:58, 10 January 2018

Metabolite CPD-15692

  • smiles:
    • CCCCCCC=CCC(=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-]
  • inchi key:
    • InChIKey=CQGVNMQHZQJNII-ZJZQAHHTSA-J
  • common name:
    • 3-trans-decenoyl-CoA
  • molecular weight:
    • 915.738
  • Synonym(s):
    • 3E-decenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCC(=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.