Difference between revisions of "CPD-17047"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11478 RXN-11478] == * direction: ** LEFT-TO-RIGHT * common name: ** Glucose/ribitol dehydrogena...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17047 CPD-17047] == * smiles: ** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(C...")
 
(2 intermediate revisions 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=RXN-11478 RXN-11478] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17047 CPD-17047] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+]
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* inchi key:
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** InChIKey=CHBULTTUDAIWDP-HCIHMXRSSA-N
 
* common name:
 
* common name:
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** Glucose/ribitol dehydrogenase
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** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/1.3.1.9 EC-1.3.1.9]
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** 586.634   
 
* Synonym(s):
 
* Synonym(s):
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** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP
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** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione
  
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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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== Reaction(s) known to produce the compound ==
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** 1 [[PROTON]][c] '''+''' 1 [[NADH]][c] '''+''' 1 [[Enoylglutaryl-ACP-methyl-esters]][c] '''=>''' 1 [[NAD]][c] '''+''' 1 [[Glutaryl-ACP-methyl-esters]][c]
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* [[RXN-15681]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 H+[c] '''+''' 1 NADH[c] '''+''' 1 an enoylglutaryl-[acp] methyl ester[c] '''=>''' 1 NAD+[c] '''+''' 1 a glutaryl-[acp] methyl ester[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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* [[Ec-27_002470]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-6519]], 8-amino-7-oxononanoate biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6519 PWY-6519]
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** '''7''' reactions found over '''11''' reactions in the full pathway
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[esiliculosus_genome]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: common name=Glucose/ribitol dehydrogenase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657130 90657130]
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{{#set: ec number=EC-1.3.1.9}}
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{{#set: smiles=C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+]}}
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{{#set: gene associated=Ec-27_002470}}
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{{#set: inchi key=InChIKey=CHBULTTUDAIWDP-HCIHMXRSSA-N}}
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{{#set: in pathway=PWY-6519}}
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{{#set: common name=3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine}}
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{{#set: reconstruction category=annotation}}
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{{#set: molecular weight=586.634    }}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione}}
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{{#set: reconstruction source=esiliculosus_genome}}
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{{#set: produced by=RXN-15681}}

Latest revision as of 19:12, 21 March 2018

Metabolite CPD-17047

  • smiles:
    • C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+]
  • inchi key:
    • InChIKey=CHBULTTUDAIWDP-HCIHMXRSSA-N
  • common name:
    • 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
  • molecular weight:
    • 586.634
  • Synonym(s):
    • 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+" cannot be used as a page name in this wiki.



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