Difference between revisions of "RXN-12198"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PALMITYL-COA PALMITYL-COA] == * smiles: ** CCCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)...")
(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=PALMITYL-COA PALMITYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-HYDROXY-2-METHYLPROPANENITRILE 2-HYDROXY-2-METHYLPROPANENITRILE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O
+
** CC(O)(C)C#N
 
* inchi key:
 
* inchi key:
−
** InChIKey=MNBKLUUYKPBKDU-BBECNAHFSA-J
+
** InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** palmitoyl-CoA
+
** acetone cyanohydrin
 
* molecular weight:
 
* molecular weight:
−
** 1001.915    
+
** 85.105    
 
* Synonym(s):
 
* Synonym(s):
−
** Palmitoyl-CoA (n-C16:0CoA)
+
** 2-hydroxy-2-methylpropanenitrile
−
** hexadecanoyl CoA
+
** 2-hydroxyisobutyronitrile
−
** palmityl-CoA
+
−
** palmitoyl coenzyme A
+
−
** palmitoyl CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16032]]
 
−
* [[RXN-10664]]
 
−
* [[SERINE-C-PALMITOYLTRANSFERASE-RXN]]
 
−
* [[RXN-16065]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-9623]]
+
* [[RXN-5341]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-15066]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 1763-10-6
+
* NCI:
−
* BIGG : 34063
+
** [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=45266605 45266605]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6406 6406]
−
* HMDB : HMDB01338
+
* HMDB : HMDB60427
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00154 C00154]
+
** [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=57379 57379]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15348 15348]
−
* METABOLIGHTS : MTBLC57379
+
{{#set: smiles=CC(O)(C)C#N}}
−
{{#set: smiles=CCCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O}}
+
{{#set: inchi key=InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N}}
−
{{#set: inchi key=InChIKey=MNBKLUUYKPBKDU-BBECNAHFSA-J}}
+
{{#set: common name=acetone cyanohydrin}}
−
{{#set: common name=palmitoyl-CoA}}
+
{{#set: molecular weight=85.105   }}
−
{{#set: molecular weight=1001.915   }}
+
{{#set: common name=2-hydroxy-2-methylpropanenitrile|2-hydroxyisobutyronitrile}}
−
{{#set: common name=Palmitoyl-CoA (n-C16:0CoA)|hexadecanoyl CoA|palmityl-CoA|palmitoyl coenzyme A|palmitoyl CoA}}
+
{{#set: produced by=RXN-5341}}
−
{{#set: consumed by=RXN-16032|RXN-10664|SERINE-C-PALMITOYLTRANSFERASE-RXN|RXN-16065}}
+
−
{{#set: produced by=RXN-9623}}
+
−
{{#set: reversible reaction associated=RXN-15066}}
+

Revision as of 13:53, 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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