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=D-MYO-INOSITOL-34-BISPHOSPHATE D-MYO-INOSITOL-34-BISPHOSPHATE] == * smiles: ** C1(O)(C(O)C(O)C(...")
(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...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-MYO-INOSITOL-34-BISPHOSPHATE D-MYO-INOSITOL-34-BISPHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] ==
 
* smiles:
 
* smiles:
−
** C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)
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** CC(O)(C)C#N
−
* inchi key:
+
−
** InChIKey=MCKAJXMRULSUKI-CNWJWELYSA-J
+
 
* common name:
 
* common name:
−
** D-myo-inositol (3,4)-bisphosphate
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** 2-hydroxy-2-methylpropanenitrile
 +
* inchi key:
 +
** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 336.085    
+
** 85.105    
 
* Synonym(s):
 
* Synonym(s):
−
** 1D-myo-inositol (3,4)-bisphosphate
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** acetone cyanohydrin
−
** inositol (3,4)-bisphosphate
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** 2-hydroxyisobutyronitrile
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** (2,3,4,5)-tetrahydroxy-6-phosphonooxy-cyclohexoxy)phosphonic acid
+
−
** Ins(3,4)P2
+
−
** I(3,4)P2
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-10960]]
+
* [[RXN-17609]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10939]]
+
* [[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=21120281 21120281]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6406 6406]
 +
* CAS : 75-86-5
 +
* DRUGBANK : DB02203
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=131093 131093]
 +
* HMDB : HMDB60427
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02659 C02659]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.19980559.html 19980559]
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** [http://www.chemspider.com/Chemical-Structure.6166.html 6166]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83241 83241]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348]
−
* LIGAND-CPD:
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{{#set: smiles=CC(O)(C)C#N}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C04063 C04063]
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{{#set: common name=2-hydroxy-2-methylpropanenitrile}}
−
* HMDB : HMDB06235
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{{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}}
−
{{#set: smiles=C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)}}
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{{#set: molecular weight=85.105   }}
−
{{#set: inchi key=InChIKey=MCKAJXMRULSUKI-CNWJWELYSA-J}}
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{{#set: common name=acetone cyanohydrin|2-hydroxyisobutyronitrile}}
−
{{#set: common name=D-myo-inositol (3,4)-bisphosphate}}
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{{#set: consumed by=RXN-17609}}
−
{{#set: molecular weight=336.085   }}
+
{{#set: produced by=RXN-5341}}
−
{{#set: common name=1D-myo-inositol (3,4)-bisphosphate|inositol (3,4)-bisphosphate|(2,3,4,5)-tetrahydroxy-6-phosphonooxy-cyclohexoxy)phosphonic acid|Ins(3,4)P2|I(3,4)P2}}
+
{{#set: reversible reaction associated=RXN-17607}}
−
{{#set: consumed by=RXN-10960}}
+
−
{{#set: produced by=RXN-10939}}
+

Latest revision as of 20:16, 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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