Difference between revisions of "PGCM"

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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=CPD-318 CPD-318] == * smiles: ** C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1) * inchi key: ** InChIKey=LHFJO...")
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=CPD-318 CPD-318] ==
 
* smiles:
 
* smiles:
** CC(=O)C1(C=CC=CC=1)
+
** C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1)
 
* inchi key:
 
* inchi key:
** InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N
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** InChIKey=LHFJOBMTAJJOTB-JLAZNSOCSA-N
 
* common name:
 
* common name:
** acetophenone
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** monodehydroascorbate radical
 
* molecular weight:
 
* molecular weight:
** 120.151    
+
** 175.118    
 
* Synonym(s):
 
* Synonym(s):
** phenylmethylketone
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** monodehydroascorbic acid
** methylphenylketone
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** semidehydroascorbic acid
 +
** semidehydroascorbate
 +
** ascorbyl radical
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-3523]]
 +
* [[1.6.5.4-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-10981]]
 +
* [[RXN-3521]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-1302]]
 
 
== External links  ==
 
== External links  ==
* CAS : 98-86-2
 
* DRUGBANK : DB04619
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7410 7410]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5483640 5483640]
* HMDB : HMDB33910
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C07113 C07113]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.7132.html 7132]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27632 27632]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16504 16504]
{{#set: smiles=CC(=O)C1(C=CC=CC=1)}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=KWOLFJPFCHCOCG-UHFFFAOYSA-N}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01041 C01041]
{{#set: common name=acetophenone}}
+
{{#set: smiles=C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1)}}
{{#set: molecular weight=120.151   }}
+
{{#set: inchi key=InChIKey=LHFJOBMTAJJOTB-JLAZNSOCSA-N}}
{{#set: common name=phenylmethylketone|methylphenylketone}}
+
{{#set: common name=monodehydroascorbate radical}}
{{#set: consumed or produced by=RXN-1302}}
+
{{#set: molecular weight=175.118   }}
 +
{{#set: common name=monodehydroascorbic acid|semidehydroascorbic acid|semidehydroascorbate|ascorbyl radical}}
 +
{{#set: consumed by=RXN-3523|1.6.5.4-RXN}}
 +
{{#set: produced by=RXN-10981|RXN-3521}}

Revision as of 18:46, 18 March 2018

Metabolite CPD-318

  • smiles:
    • C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1)
  • inchi key:
    • InChIKey=LHFJOBMTAJJOTB-JLAZNSOCSA-N
  • common name:
    • monodehydroascorbate radical
  • molecular weight:
    • 175.118
  • Synonym(s):
    • monodehydroascorbic acid
    • semidehydroascorbic acid
    • semidehydroascorbate
    • ascorbyl radical

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1)" cannot be used as a page name in this wiki.