Difference between revisions of "CPD-9460"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN66-3 RXN66-3] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/1.2....")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9460 CPD-9460] == * smiles: ** CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(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=RXN66-3 RXN66-3] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9460 CPD-9460] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.2.1.3 EC-1.2.1.3]
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** oleanolate 3 β-D-glucuronoside
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* inchi key:
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** InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L
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* molecular weight:
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** 630.817   
 
* Synonym(s):
 
* Synonym(s):
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** oleanolic acid 3 β-D-glucuronoside
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** oleanoic acid 3-O-glucuronide
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** monoglucuronide F
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** oleanolic acid 3-O-glucuronide
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** oleanolic acid 3-O-monoglucuronide
  
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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 [[NAD]][c] '''+''' 1 [[ACETALD]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[ACET]][c] '''+''' 1 [[NADH]][c] '''+''' 2 [[PROTON]][c]
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* [[RXN-9000]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 NAD+[c] '''+''' 1 acetaldehyde[c] '''+''' 1 H2O[c] '''=>''' 1 acetate[c] '''+''' 1 NADH[c] '''+''' 2 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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* [[Tiso_gene_7322]]
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** [[pantograph]]-[[synechocystis]]
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== Pathways  ==
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* [[PWY-7387]], hypotaurine degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7387 PWY-7387]
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** '''1''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-161]], ethanol degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-161 PWY66-161]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-21]], ethanol degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-21 PWY66-21]
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** '''3''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-162]], ethanol degradation IV: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-162 PWY66-162]
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** '''2''' reactions found over '''3''' 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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*** [[synechocystis]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=25295 25295]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659092 90659092]
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* LIGAND-RXN:
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* HMDB : HMDB40851
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** [http://www.genome.jp/dbget-bin/www_bget?R00710 R00710]
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* CHEBI:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=37658 37658]
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{{#set: ec number=EC-1.2.1.3}}
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* LIGAND-CPD:
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{{#set: gene associated=Tiso_gene_7322}}
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** [http://www.genome.jp/dbget-bin/www_bget?C08964 C08964]
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{{#set: in pathway=PWY-7387|PWY66-161|PWY66-21|PWY66-162}}
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{{#set: smiles=CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C}}
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{{#set: reconstruction category=orthology}}
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{{#set: common name=oleanolate 3 β-D-glucuronoside}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: inchi key=InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L}}
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{{#set: reconstruction source=synechocystis}}
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{{#set: molecular weight=630.817    }}
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{{#set: reconstruction category=annotation}}
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{{#set: common name=oleanolic acid 3 β-D-glucuronoside|oleanoic acid 3-O-glucuronide|monoglucuronide F|oleanolic acid 3-O-glucuronide|oleanolic acid 3-O-monoglucuronide}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: produced by=RXN-9000}}
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{{#set: reconstruction source=in-silico_annotation}}
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Latest revision as of 20:18, 21 March 2018

Metabolite CPD-9460

  • smiles:
    • CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C
  • common name:
    • oleanolate 3 β-D-glucuronoside
  • inchi key:
    • InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-L
  • molecular weight:
    • 630.817
  • Synonym(s):
    • oleanolic acid 3 β-D-glucuronoside
    • oleanoic acid 3-O-glucuronide
    • monoglucuronide F
    • oleanolic acid 3-O-glucuronide
    • oleanolic acid 3-O-monoglucuronide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C" cannot be used as a page name in this wiki.



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