Difference between revisions of "Ec-13 004490"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-67 CPD-67] == * smiles: ** C(OP([O-])(=O)[O-])C([O-])=O * inchi key: ** InChIKey=ASCFNMCAHF...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-67 CPD-67] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHENYL PHENYL] ==
 
* smiles:
 
* smiles:
−
** C(OP([O-])(=O)[O-])C([O-])=O
+
** CC(=O)C1(C=CC=CC=1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=ASCFNMCAHFUBCO-UHFFFAOYSA-K
+
** InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 2-phosphoglycolate
+
** acetophenone
 
* molecular weight:
 
* molecular weight:
−
** 153.008    
+
** 120.151    
 
* Synonym(s):
 
* Synonym(s):
−
** 2-P-glycolate
+
** phenylmethylketone
−
** phosphoglycolate
+
** methylphenylketone
−
** Phosphoglycolic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[GPH-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-961]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-1302]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 2pglyc
+
* CAS : 98-86-2
 +
* DRUGBANK : DB04619
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24916760 24916760]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7410 7410]
−
* HMDB : HMDB00816
+
* HMDB : HMDB33910
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00988 C00988]
+
** [http://www.genome.jp/dbget-bin/www_bget?C07113 C07113]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.7132.html 7132]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58033 58033]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27632 27632]
−
* METABOLIGHTS : MTBLC58033
+
{{#set: smiles=CC(=O)C1(C=CC=CC=1)}}
−
{{#set: smiles=C(OP([O-])(=O)[O-])C([O-])=O}}
+
{{#set: inchi key=InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N}}
−
{{#set: inchi key=InChIKey=ASCFNMCAHFUBCO-UHFFFAOYSA-K}}
+
{{#set: common name=acetophenone}}
−
{{#set: common name=2-phosphoglycolate}}
+
{{#set: molecular weight=120.151   }}
−
{{#set: molecular weight=153.008   }}
+
{{#set: common name=phenylmethylketone|methylphenylketone}}
−
{{#set: common name=2-P-glycolate|phosphoglycolate|Phosphoglycolic acid}}
+
{{#set: reversible reaction associated=RXN-1302}}
−
{{#set: consumed by=GPH-RXN}}
+
−
{{#set: produced by=RXN-961}}
+

Revision as of 21:36, 17 March 2018

Metabolite PHENYL

  • smiles:
    • CC(=O)C1(C=CC=CC=1)
  • inchi key:
    • InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
  • common name:
    • acetophenone
  • molecular weight:
    • 120.151
  • Synonym(s):
    • phenylmethylketone
    • methylphenylketone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 98-86-2
  • DRUGBANK : DB04619
  • PUBCHEM:
  • HMDB : HMDB33910
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:




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