Difference between revisions of "TRANSENOYLCOARED-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] == * smiles: ** CC1(C=CC(=CC=1)O) * inchi key: ** InChIKey=IWDCLRJOBJJRNH-UHFF...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19487 CPD-19487] == * smiles: ** CSCCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-] * inchi key: ** InChIK...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19487 CPD-19487] ==
 
* smiles:
 
* smiles:
** CC1(C=CC(=CC=1)O)
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** CSCCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N
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** InChIKey=UKHZBTWECWUVPH-UHFFFAOYSA-L
 
* common name:
 
* common name:
** 4-methylphenol
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** 3-isopropyl-10-(methylthio)-2-oxodecanoate
 
* molecular weight:
 
* molecular weight:
** 108.14    
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** 274.331    
 
* Synonym(s):
 
* Synonym(s):
** 4-hydroxytoluene
 
** p-hydroxytoluene
 
** 4-cresol
 
** p-cresol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-18201]]
 
== 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-15588]]
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* [[RXN-18200]]
 
== External links  ==
 
== External links  ==
* CAS : 106-44-5
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{{#set: smiles=CSCCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]}}
* DRUGBANK : DB01688
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{{#set: inchi key=InChIKey=UKHZBTWECWUVPH-UHFFFAOYSA-L}}
* PUBCHEM:
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{{#set: common name=3-isopropyl-10-(methylthio)-2-oxodecanoate}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2879 2879]
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{{#set: molecular weight=274.331   }}
* HMDB : HMDB01858
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{{#set: consumed by=RXN-18201}}
* LIGAND-CPD:
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{{#set: reversible reaction associated=RXN-18200}}
** [http://www.genome.jp/dbget-bin/www_bget?C01468 C01468]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.13285340.html 13285340]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17847 17847]
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* METABOLIGHTS : MTBLC17847
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{{#set: smiles=CC1(C=CC(=CC=1)O)}}
+
{{#set: inchi key=InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N}}
+
{{#set: common name=4-methylphenol}}
+
{{#set: molecular weight=108.14   }}
+
{{#set: common name=4-hydroxytoluene|p-hydroxytoluene|4-cresol|p-cresol}}
+
{{#set: consumed or produced by=RXN-15588}}
+

Revision as of 19:54, 18 March 2018

Metabolite CPD-19487

  • smiles:
    • CSCCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
  • inchi key:
    • InChIKey=UKHZBTWECWUVPH-UHFFFAOYSA-L
  • common name:
    • 3-isopropyl-10-(methylthio)-2-oxodecanoate
  • molecular weight:
    • 274.331
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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