Difference between revisions of "CPDQT-27"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9922 RXN-9922] == * direction: ** REVERSIBLE * Synonym(s): == Reaction Formula == * With ident...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-27 CPDQT-27] == * smiles: ** CSCCCCC(=O)C([O-])=O * common name: ** 6-(methylthio)-2-oxoh...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9922 RXN-9922] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-27 CPDQT-27] ==
* direction:
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* smiles:
** REVERSIBLE
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** CSCCCCC(=O)C([O-])=O
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* common name:
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** 6-(methylthio)-2-oxohexanoate
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* inchi key:
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** InChIKey=GRUGZHAOXOPASC-UHFFFAOYSA-M
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* molecular weight:
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** 175.222   
 
* Synonym(s):
 
* Synonym(s):
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** 6-(methylthio)-2-oxohexanoic acid
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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== Reaction(s) known to produce the compound ==
** 1 [[3-HYDROXY-CISCIS-MUCONATE]][c] '''<=>''' 1 [[CPD-294]][c]
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* [[RXN-18209]]
* With common name(s):
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* [[RXNQT-4165]]
** 1 3-hydroxy-cis,cis-muconate[c] '''<=>''' 1 2-maleylacetate[c]
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== Reaction(s) of unknown directionality ==
 
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
* LIGAND-RXN:
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* PUBCHEM:
** [http://www.genome.jp/dbget-bin/www_bget?R03892 R03892]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237195 44237195]
{{#set: direction=REVERSIBLE}}
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* KNAPSACK : C00007648
{{#set: in pathway=}}
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{{#set: smiles=CSCCCCC(=O)C([O-])=O}}
{{#set: reconstruction category=annotation}}
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{{#set: common name=6-(methylthio)-2-oxohexanoate}}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: inchi key=InChIKey=GRUGZHAOXOPASC-UHFFFAOYSA-M}}
{{#set: reconstruction source=in-silico_annotation}}
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{{#set: molecular weight=175.222    }}
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{{#set: common name=6-(methylthio)-2-oxohexanoic acid}}
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{{#set: produced by=RXN-18209|RXNQT-4165}}

Latest revision as of 19:44, 21 March 2018

Metabolite CPDQT-27

  • smiles:
    • CSCCCCC(=O)C([O-])=O
  • common name:
    • 6-(methylthio)-2-oxohexanoate
  • inchi key:
    • InChIKey=GRUGZHAOXOPASC-UHFFFAOYSA-M
  • molecular weight:
    • 175.222
  • Synonym(s):
    • 6-(methylthio)-2-oxohexanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • KNAPSACK : C00007648
"CSCCCCC(=O)C([O-])=O" cannot be used as a page name in this wiki.