Difference between revisions of "CPD-10825"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOADIPATE-ENOL-LACTONE 3-OXOADIPATE-ENOL-LACTONE] == * smiles: ** C(=O)(CC1(=CCC(=O)O1))[O-]...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10825 CPD-10825] == * smiles: ** CC1(=C(OC(C1)=O)CC([O-])=O) * common name: ** 4-methyl-3-o...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOADIPATE-ENOL-LACTONE 3-OXOADIPATE-ENOL-LACTONE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10825 CPD-10825] ==
 
* smiles:
 
* smiles:
** C(=O)(CC1(=CCC(=O)O1))[O-]
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** CC1(=C(OC(C1)=O)CC([O-])=O)
* inchi key:
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** InChIKey=ZPEHSARSWGDCEX-UHFFFAOYSA-M
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* common name:
 
* common name:
** (4,5-dihydro-5-oxofuran-2-yl)-acetate
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** 4-methyl-3-oxoadipate-enol-lactone
 +
* inchi key:
 +
** InChIKey=DAJDHKXIQYXYPH-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
** 141.103    
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** 155.13    
 
* Synonym(s):
 
* Synonym(s):
** 3-oxoadipate enol lactone
 
** β-ketoadipate-enol-lactone
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3-OXOADIPATE-ENOL-LACTONASE-RXN]]
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* [[RXN-10083]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615198 23615198]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44123582 44123582]
* CHEMSPIDER:
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{{#set: smiles=CC1(=C(OC(C1)=O)CC([O-])=O)}}
** [http://www.chemspider.com/Chemical-Structure.19951100.html 19951100]
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{{#set: common name=4-methyl-3-oxoadipate-enol-lactone}}
* CHEBI:
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{{#set: inchi key=InChIKey=DAJDHKXIQYXYPH-UHFFFAOYSA-M}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58425 58425]
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{{#set: molecular weight=155.13    }}
* LIGAND-CPD:
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{{#set: consumed by=RXN-10083}}
** [http://www.genome.jp/dbget-bin/www_bget?C03586 C03586]
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{{#set: smiles=C(=O)(CC1(=CCC(=O)O1))[O-]}}
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{{#set: inchi key=InChIKey=ZPEHSARSWGDCEX-UHFFFAOYSA-M}}
+
{{#set: common name=(4,5-dihydro-5-oxofuran-2-yl)-acetate}}
+
{{#set: molecular weight=141.103    }}
+
{{#set: common name=3-oxoadipate enol lactone|β-ketoadipate-enol-lactone}}
+
{{#set: consumed by=3-OXOADIPATE-ENOL-LACTONASE-RXN}}
+

Latest revision as of 21:19, 21 March 2018

Metabolite CPD-10825

  • smiles:
    • CC1(=C(OC(C1)=O)CC([O-])=O)
  • common name:
    • 4-methyl-3-oxoadipate-enol-lactone
  • inchi key:
    • InChIKey=DAJDHKXIQYXYPH-UHFFFAOYSA-M
  • molecular weight:
    • 155.13
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC1(=C(OC(C1)=O)CC([O-])=O)" cannot be used as a page name in this wiki.