Difference between revisions of "PHENYL-PYRUVATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10586 CPD-10586] == * smiles: ** CC(CO)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL-PYRUVATE PHENYL-PYRUVATE] == * smiles: ** C([O-])(=O)C(=O)CC1(=CC=CC=C1) * common name:...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10586 CPD-10586] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL-PYRUVATE PHENYL-PYRUVATE] ==
 
* smiles:
 
* smiles:
** CC(CO)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))
+
** C([O-])(=O)C(=O)CC1(=CC=CC=C1)
* inchi key:
+
** InChIKey=OQIJRBFRXGIHMI-WKNWCLFJSA-N
+
 
* common name:
 
* common name:
** (25R)-5β-cholestane-3α,7α,26-triol
+
** 2-oxo-3-phenylpropanoate
 +
* inchi key:
 +
** InChIKey=BTNMPGBKDVTSJY-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 420.674    
+
** 163.152    
 
* Synonym(s):
 
* Synonym(s):
 +
** α-ketohydrocinnamic acid
 +
** 3-phenyl-2-oxopropanoate
 +
** phenylpyruvate
 +
** 3-phenylpyruvate
 +
** 3-phenylpyruvic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-9843]]
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* [[PHENYLPYRUVATE-TAUTOMERASE-RXN]]
 +
* [[RXN-10815]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-10814]]
 +
* [[PREPHENATEDEHYDRAT-RXN]]
 +
* [[PHEAMINOTRANS-RXN]]
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMST04030020
+
* CAS : 156-06-9
 +
* BIGG : phpyr
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46926093 46926093]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4592697 4592697]
* HMDB : HMDB12455
+
* HMDB : HMDB00205
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?c05444 c05444]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00166 C00166]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.3784710.html 3784710]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28540 28540]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18005 18005]
* METABOLIGHTS : MTBLC28540
+
* METABOLIGHTS : MTBLC18005
{{#set: smiles=CC(CO)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))}}
+
{{#set: smiles=C([O-])(=O)C(=O)CC1(=CC=CC=C1)}}
{{#set: inchi key=InChIKey=OQIJRBFRXGIHMI-WKNWCLFJSA-N}}
+
{{#set: common name=2-oxo-3-phenylpropanoate}}
{{#set: common name=(25R)-5β-cholestane-3α,7α,26-triol}}
+
{{#set: inchi key=InChIKey=BTNMPGBKDVTSJY-UHFFFAOYSA-M}}
{{#set: molecular weight=420.674    }}
+
{{#set: molecular weight=163.152    }}
{{#set: consumed by=RXN-9843}}
+
{{#set: common name=α-ketohydrocinnamic acid|3-phenyl-2-oxopropanoate|phenylpyruvate|3-phenylpyruvate|3-phenylpyruvic acid}}
 +
{{#set: consumed by=PHENYLPYRUVATE-TAUTOMERASE-RXN|RXN-10815}}
 +
{{#set: reversible reaction associated=RXN-10814|PREPHENATEDEHYDRAT-RXN|PHEAMINOTRANS-RXN}}

Latest revision as of 19:53, 21 March 2018

Metabolite PHENYL-PYRUVATE

  • smiles:
    • C([O-])(=O)C(=O)CC1(=CC=CC=C1)
  • common name:
    • 2-oxo-3-phenylpropanoate
  • inchi key:
    • InChIKey=BTNMPGBKDVTSJY-UHFFFAOYSA-M
  • molecular weight:
    • 163.152
  • Synonym(s):
    • α-ketohydrocinnamic acid
    • 3-phenyl-2-oxopropanoate
    • phenylpyruvate
    • 3-phenylpyruvate
    • 3-phenylpyruvic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 156-06-9
  • BIGG : phpyr
  • PUBCHEM:
  • HMDB : HMDB00205
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC18005
"C([O-])(=O)C(=O)CC1(=CC=CC=C1)" cannot be used as a page name in this wiki.