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

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11412 CPD-11412] == * smiles: ** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2...")
(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...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11412 CPD-11412] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] ==
 
* smiles:
 
* smiles:
−
** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))
+
** CC(O)(C)C#N
 
* common name:
 
* common name:
−
** triiodothyroacetate ester glucuronide
+
** 2-hydroxy-2-methylpropanenitrile
 
* inchi key:
 
* inchi key:
−
** InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M
+
** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 797.054    
+
** 85.105    
 
* Synonym(s):
 
* Synonym(s):
−
** triiodothyroacetic acid ester glucuronide
+
** acetone cyanohydrin
 +
** 2-hydroxyisobutyronitrile
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17609]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10618]]
+
* [[RXN-5341]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-17607]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659348 90659348]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6406 6406]
−
{{#set: smiles=C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))}}
+
* CAS : 75-86-5
−
{{#set: common name=triiodothyroacetate ester glucuronide}}
+
* DRUGBANK : DB02203
−
{{#set: inchi key=InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M}}
+
* NCI:
−
{{#set: molecular weight=797.054   }}
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=131093 131093]
−
{{#set: common name=triiodothyroacetic acid ester glucuronide}}
+
* HMDB : HMDB60427
−
{{#set: produced by=RXN-10618}}
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02659 C02659]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.6166.html 6166]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348]
 +
{{#set: smiles=CC(O)(C)C#N}}
 +
{{#set: common name=2-hydroxy-2-methylpropanenitrile}}
 +
{{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=85.105   }}
 +
{{#set: common name=acetone cyanohydrin|2-hydroxyisobutyronitrile}}
 +
{{#set: consumed by=RXN-17609}}
 +
{{#set: produced by=RXN-5341}}
 +
{{#set: reversible reaction associated=RXN-17607}}

Latest revision as of 21:16, 21 March 2018

Metabolite 2-HYDROXY-2-METHYLPROPANENITRILE

  • smiles:
    • CC(O)(C)C#N
  • common name:
    • 2-hydroxy-2-methylpropanenitrile
  • inchi key:
    • InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
  • 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

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





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