Difference between revisions of "RXN66-305"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-81 RXN66-81] == * direction: ** LEFT-TO-RIGHT * common name: ** N,N-dimethylaniline monooxyge...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7417 CPD-7417] == * smiles: ** C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O * inchi ke...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-81 RXN66-81] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7417 CPD-7417] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O
 +
* inchi key:
 +
** InChIKey=GVRIYIMNJGULCZ-QLFWQTQQSA-M
 
* common name:
 
* common name:
** N,N-dimethylaniline monooxygenase
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** cis-coumarinic acid-β-D-glucoside
* ec number:
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* molecular weight:
** [http://enzyme.expasy.org/EC/1.14.13.8 EC-1.14.13.8]
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** 325.294   
 
* Synonym(s):
 
* Synonym(s):
 +
** coumarinic acid glucoside
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** coumarinate glucoside
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[RXN-8036]]
** 1 [[NADPH]][c] '''+''' 1 [[NICOTINE]][c] '''+''' 1 [[OXYGEN-MOLECULE]][c] '''=>''' 1 [[NADP]][c] '''+''' 1 [[WATER]][c] '''+''' 1 [[CPD-2743]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 NADPH[c] '''+''' 1 (S)-nicotine[c] '''+''' 1 oxygen[c] '''=>''' 1 NADP+[c] '''+''' 1 H2O[c] '''+''' 1 nicotine-1'-N-oxide[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-11_003800]]
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** ESILICULOSUS_GENOME
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***GO-TERM
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* [[Ec-00_002320]]
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** ESILICULOSUS_GENOME
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***GO-TERM
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* [[Ec-06_002080]]
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** ESILICULOSUS_GENOME
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***GO-TERM
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* [[Ec-06_000440]]
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** ESILICULOSUS_GENOME
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***GO-TERM
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* [[Ec-25_003590]]
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** ESILICULOSUS_GENOME
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***GO-TERM
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* [[Ec-01_005560]]
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** ESILICULOSUS_GENOME
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***GO-TERM
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== Pathways  ==
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* [[PWY66-201]], nicotine degradation IV: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-201 PWY66-201]
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** '''2''' reactions found over '''17''' 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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* LIGAND-CPD:
{{#set: common name=N,N-dimethylaniline monooxygenase}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05839 C05839]
{{#set: ec number=EC-1.14.13.8}}
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* CHEBI:
{{#set: gene associated=Ec-11_003800|Ec-00_002320|Ec-06_002080|Ec-06_000440|Ec-25_003590|Ec-01_005560}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62223 62223]
{{#set: in pathway=PWY66-201}}
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* PUBCHEM:
{{#set: reconstruction category=annotation}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25796113 25796113]
{{#set: reconstruction source=annotation-esiliculosus_genome}}
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* HMDB : HMDB60077
{{#set: reconstruction tool=pathwaytools}}
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{{#set: smiles=C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O}}
 +
{{#set: inchi key=InChIKey=GVRIYIMNJGULCZ-QLFWQTQQSA-M}}
 +
{{#set: common name=cis-coumarinic acid-β-D-glucoside}}
 +
{{#set: molecular weight=325.294    }}
 +
{{#set: common name=coumarinic acid glucoside|coumarinate glucoside}}
 +
{{#set: consumed by=RXN-8036}}

Revision as of 13:19, 21 March 2018

Metabolite CPD-7417

  • smiles:
    • C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O
  • inchi key:
    • InChIKey=GVRIYIMNJGULCZ-QLFWQTQQSA-M
  • common name:
    • cis-coumarinic acid-β-D-glucoside
  • molecular weight:
    • 325.294
  • Synonym(s):
    • coumarinic acid glucoside
    • coumarinate glucoside

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O" cannot be used as a page name in this wiki.