Difference between revisions of "P162-PWY"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ENOL-PHENYLPYRUVATE ENOL-PHENYLPYRUVATE] == * smiles: ** C([O-])(=O)C(O)=CC1(C=CC=CC=1) * inchi...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10277 CPD-10277] == * smiles: ** CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C * inchi key: ** InChIK...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ENOL-PHENYLPYRUVATE ENOL-PHENYLPYRUVATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10277 CPD-10277] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C(O)=CC1(C=CC=CC=1)
+
** CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C
 
* inchi key:
 
* inchi key:
** InChIKey=DEDGUGJNLNLJSR-VURMDHGXSA-M
+
** InChIKey=WEWBWVMTOYUPHH-QHAQEBJBSA-N
 
* common name:
 
* common name:
** enol-phenylpyruvate
+
** lotaustralin
 
* molecular weight:
 
* molecular weight:
** 163.152    
+
** 261.274    
 
* Synonym(s):
 
* Synonym(s):
 +
** 2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-9674]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PHENYLPYRUVATE-TAUTOMERASE-RXN]]
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* [[RXN-13603]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* NCI:
 
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=280708 280708]
 
* CAS : 5801-57-0
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54705603 54705603]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=441467 441467]
* HMDB : HMDB12225
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C02763 C02763]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.20058468.html 20058468]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32815 32815]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=6542 6542]
{{#set: smiles=C([O-])(=O)C(O)=CC1(C=CC=CC=1)}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=DEDGUGJNLNLJSR-VURMDHGXSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C08334 C08334]
{{#set: common name=enol-phenylpyruvate}}
+
* HMDB : HMDB33865
{{#set: molecular weight=163.152   }}
+
{{#set: smiles=CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C}}
{{#set: produced by=PHENYLPYRUVATE-TAUTOMERASE-RXN}}
+
{{#set: inchi key=InChIKey=WEWBWVMTOYUPHH-QHAQEBJBSA-N}}
 +
{{#set: common name=lotaustralin}}
 +
{{#set: molecular weight=261.274   }}
 +
{{#set: common name=2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside}}
 +
{{#set: consumed by=RXN-9674}}
 +
{{#set: produced by=RXN-13603}}

Revision as of 17:42, 10 January 2018

Metabolite CPD-10277

  • smiles:
    • CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C
  • inchi key:
    • InChIKey=WEWBWVMTOYUPHH-QHAQEBJBSA-N
  • common name:
    • lotaustralin
  • molecular weight:
    • 261.274
  • Synonym(s):
    • 2-hydroxy-2-methylbutyronitrile-beta-D-glucopyranoside

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links