Difference between revisions of "Tiso gene 4087"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-14726 RXN-14726] == * direction: ** LEFT-TO-RIGHT * common name: ** probable_nitrile_hydratase...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9459 CPD-9459] == * smiles: ** CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])...")
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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-14726 RXN-14726] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9459 CPD-9459] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C
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* inchi key:
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** InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-M
 
* common name:
 
* common name:
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** probable_nitrile_hydratase
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** oleanolate
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/4.2.1.84 EC-4.2.1.84]
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** 455.699   
 
* Synonym(s):
 
* Synonym(s):
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** oleanolic acid
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** oleanic acid
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** caryophyllin
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** 3-beta-Hydroxyolean-12-en-28-oic acid
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** oleonolic acid
  
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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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* [[RXN-9000]]
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** 1 [[CPD-12327]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[BUTYRAMIDE]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 n-butyronitrile[c] '''+''' 1 H2O[c] '''=>''' 1 butyramide[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_4032]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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== Reconstruction information  ==
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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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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: common name=probable_nitrile_hydratase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11865404 11865404]
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{{#set: ec number=EC-4.2.1.84}}
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* CHEMSPIDER:
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{{#set: gene associated=Tiso_gene_4032}}
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** [http://www.chemspider.com/Chemical-Structure.10039737.html 10039737]
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{{#set: in pathway=}}
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* CHEBI:
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{{#set: reconstruction category=annotation}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=82828 82828]
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{{#set: reconstruction tool=pathwaytools}}
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* METABOLIGHTS : MTBLC37659
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{{#set: reconstruction source=in-silico_annotation}}
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* HMDB : HMDB02364
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{{#set: smiles=CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C}}
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{{#set: inchi key=InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-M}}
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{{#set: common name=oleanolate}}
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{{#set: molecular weight=455.699    }}
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{{#set: common name=oleanolic acid|oleanic acid|caryophyllin|3-beta-Hydroxyolean-12-en-28-oic acid|oleonolic acid}}
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{{#set: consumed by=RXN-9000}}

Revision as of 18:20, 10 January 2018

Metabolite CPD-9459

  • smiles:
    • CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C
  • inchi key:
    • InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-M
  • common name:
    • oleanolate
  • molecular weight:
    • 455.699
  • Synonym(s):
    • oleanolic acid
    • oleanic acid
    • caryophyllin
    • 3-beta-Hydroxyolean-12-en-28-oic acid
    • oleonolic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C" cannot be used as a page name in this wiki.



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