Difference between revisions of "3OH-4P-OH-ALPHA-KETOBUTYRATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL PHENYL] == * smiles: ** CC(=O)C1(C=CC=CC=1) * inchi key: ** InChIKey=KWOLFJPFCHCOCG-UHFF...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3OH-4P-OH-ALPHA-KETOBUTYRATE 3OH-4P-OH-ALPHA-KETOBUTYRATE] == * smiles: ** C(C(C(C([O-])=O)=O)O...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL PHENYL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3OH-4P-OH-ALPHA-KETOBUTYRATE 3OH-4P-OH-ALPHA-KETOBUTYRATE] ==
 
* smiles:
 
* smiles:
−
** CC(=O)C1(C=CC=CC=1)
+
** C(C(C(C([O-])=O)=O)O)OP([O-])(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
+
** InChIKey=MZJFVXDTNBHTKZ-UWTATZPHSA-K
 
* common name:
 
* common name:
−
** acetophenone
+
** (3R)-3-hydroxy-2-oxo-4 phosphonooxybutanoate
 
* molecular weight:
 
* molecular weight:
−
** 120.151    
+
** 211.045    
 
* Synonym(s):
 
* Synonym(s):
−
** phenylmethylketone
+
** 3-hydroxy-4-phospho-hydroxy-α-ketobutyrate
−
** methylphenylketone
+
** 2-oxo-3-hydroxy-4-phosphobutanoate
  
 
== 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 ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-1302]]
+
* [[PSERTRANSAMPYR-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 98-86-2
 
−
* DRUGBANK : DB04619
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7410 7410]
 
−
* HMDB : HMDB33910
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C07113 C07113]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06054 C06054]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.7132.html 7132]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27632 27632]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58538 58538]
−
{{#set: smiles=CC(=O)C1(C=CC=CC=1)}}
+
* BIGG : 1447403
−
{{#set: inchi key=InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N}}
+
* PUBCHEM:
−
{{#set: common name=acetophenone}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266680 45266680]
−
{{#set: molecular weight=120.151   }}
+
* HMDB : HMDB06801
−
{{#set: common name=phenylmethylketone|methylphenylketone}}
+
{{#set: smiles=C(C(C(C([O-])=O)=O)O)OP([O-])(=O)[O-]}}
−
{{#set: consumed or produced by=RXN-1302}}
+
{{#set: inchi key=InChIKey=MZJFVXDTNBHTKZ-UWTATZPHSA-K}}
 +
{{#set: common name=(3R)-3-hydroxy-2-oxo-4 phosphonooxybutanoate}}
 +
{{#set: molecular weight=211.045   }}
 +
{{#set: common name=3-hydroxy-4-phospho-hydroxy-α-ketobutyrate|2-oxo-3-hydroxy-4-phosphobutanoate}}
 +
{{#set: reversible reaction associated=PSERTRANSAMPYR-RXN}}

Latest revision as of 20:41, 21 March 2018

Metabolite 3OH-4P-OH-ALPHA-KETOBUTYRATE

  • smiles:
    • C(C(C(C([O-])=O)=O)O)OP([O-])(=O)[O-]
  • inchi key:
    • InChIKey=MZJFVXDTNBHTKZ-UWTATZPHSA-K
  • common name:
    • (3R)-3-hydroxy-2-oxo-4 phosphonooxybutanoate
  • molecular weight:
    • 211.045
  • Synonym(s):
    • 3-hydroxy-4-phospho-hydroxy-α-ketobutyrate
    • 2-oxo-3-hydroxy-4-phosphobutanoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(C(C([O-])=O)=O)O)OP([O-])(=O)[O-" cannot be used as a page name in this wiki.



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