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=P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE] == * smiles: ** C(OP([...")
 
(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...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] ==
 
* smiles:
 
* smiles:
−
** C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C(N)=C(C(=O)NC(C([O-])=O)CC([O-])=O)N=C1))O2)
+
** CC(O)(C)C#N
 
* inchi key:
 
* inchi key:
−
** InChIKey=NAQGHJTUZRHGAC-LBGUGVGYSA-J
+
** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole
+
** acetone cyanohydrin
 
* molecular weight:
 
* molecular weight:
−
** 450.255    
+
** 85.105    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-2-[5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate
+
** 2-hydroxy-2-methylpropanenitrile
−
** 1-(5-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole
+
** 2-hydroxyisobutyronitrile
−
** 5'-P-ribosyl-4-(N-succinocarboxamide)-5-aminoimidazole
+
−
** 5'-p-Ribosyl-4-(N-succinocarboxamide)-5-amino imidazole
+
−
** 1-(5'-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole
+
−
** SAICAR
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[SAICARSYN-RXN]]
+
* [[RXN-5341]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[AICARSYN-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* BIGG : 44624
+
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=131093 131093]
 +
* CAS : 75-86-5
 +
* DRUGBANK : DB02203
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266647 45266647]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6406 6406]
−
* HMDB : HMDB00797
+
* HMDB : HMDB60427
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C04823 C04823]
+
** [http://www.genome.jp/dbget-bin/www_bget?C02659 C02659]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.6166.html 6166]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58443 58443]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348]
−
* METABOLIGHTS : MTBLC58443
+
{{#set: smiles=CC(O)(C)C#N}}
−
{{#set: smiles=C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C(N)=C(C(=O)NC(C([O-])=O)CC([O-])=O)N=C1))O2)}}
+
{{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}}
−
{{#set: inchi key=InChIKey=NAQGHJTUZRHGAC-LBGUGVGYSA-J}}
+
{{#set: common name=acetone cyanohydrin}}
−
{{#set: common name=5'-phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole}}
+
{{#set: molecular weight=85.105   }}
−
{{#set: molecular weight=450.255   }}
+
{{#set: common name=2-hydroxy-2-methylpropanenitrile|2-hydroxyisobutyronitrile}}
−
{{#set: common name=(S)-2-[5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate|1-(5-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole|5'-P-ribosyl-4-(N-succinocarboxamide)-5-aminoimidazole|5'-p-Ribosyl-4-(N-succinocarboxamide)-5-amino imidazole|1-(5'-phosphoribosyl)-4-(N-succino-carboxamide)-5-aminoimidazole|SAICAR}}
+
{{#set: produced by=RXN-5341}}
−
{{#set: produced by=SAICARSYN-RXN}}
+
−
{{#set: consumed or produced by=AICARSYN-RXN}}
+

Latest revision as of 19:53, 21 March 2018

Metabolite 2-HYDROXY-2-METHYLPROPANENITRILE

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