Difference between revisions of "2-HYDROXY-2-METHYLPROPANENITRILE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-13198 RXN-13198] == * direction: ** REVERSIBLE * ec number: ** [http://enzyme.expasy.org/EC/1.1...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] == * smiles: ** CC(O)(C)C#N...")
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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-13198 RXN-13198] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(O)(C)C#N
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.1.1.1 EC-1.1.1.1]
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** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
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* common name:
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** 2-hydroxy-2-methylpropanenitrile
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* molecular weight:
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** 85.105   
 
* Synonym(s):
 
* Synonym(s):
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** acetone cyanohydrin
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** 2-hydroxyisobutyronitrile
  
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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 [[PROPANOL]][c] '''+''' 1 [[NAD]][c] '''<=>''' 1 [[NADH]][c] '''+''' 1 [[CPD-665]][c] '''+''' 1 [[PROTON]][c]
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* [[RXN-5341]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 propan-1-ol[c] '''+''' 1 NAD+[c] '''<=>''' 1 NADH[c] '''+''' 1 1-propanal[c] '''+''' 1 H+[c]
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* [[RXN-17607]]
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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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* [[CHC_T00010066001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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== Pathways  ==
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* [[PWY-7013]], L-1,2-propanediol degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7013 PWY-7013]
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** '''1''' reactions found over '''5''' 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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*** [[galdieria.sulphuraria]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* NCI:
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{{#set: ec number=EC-1.1.1.1}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=131093 131093]
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{{#set: gene associated=CHC_T00010066001_1}}
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* CAS : 75-86-5
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{{#set: in pathway=PWY-7013}}
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* DRUGBANK : DB02203
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{{#set: reconstruction category=orthology}}
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* PUBCHEM:
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{{#set: reconstruction tool=pantograph}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6406 6406]
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{{#set: reconstruction source=galdieria.sulphuraria}}
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* HMDB : HMDB60427
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C02659 C02659]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.6166.html 6166]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348]
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{{#set: smiles=CC(O)(C)C#N}}
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{{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}}
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{{#set: common name=2-hydroxy-2-methylpropanenitrile}}
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{{#set: molecular weight=85.105    }}
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{{#set: common name=acetone cyanohydrin|2-hydroxyisobutyronitrile}}
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{{#set: produced by=RXN-5341}}
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{{#set: reversible reaction associated=RXN-17607}}

Revision as of 16:59, 23 May 2018

Metabolite 2-HYDROXY-2-METHYLPROPANENITRILE

  • smiles:
    • CC(O)(C)C#N
  • inchi key:
    • InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
  • common name:
    • 2-hydroxy-2-methylpropanenitrile
  • molecular weight:
    • 85.105
  • Synonym(s):
    • acetone cyanohydrin
    • 2-hydroxyisobutyronitrile

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • NCI:
  • CAS : 75-86-5
  • DRUGBANK : DB02203
  • PUBCHEM:
  • HMDB : HMDB60427
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:




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