Difference between revisions of "3-KETO-ADIPATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-37 CPDQT-37] == * smiles: ** CSCCCCC(C(O)C(=O)[O-])C(=O)[O-] * inchi key: ** InChIKey=ZIZ...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPATE 3-KETO-ADIPATE] == * smiles: ** C(=O)([O-])CC(=O)CCC(=O)[O-] * common name: ** 3...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDQT-37 CPDQT-37] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETO-ADIPATE 3-KETO-ADIPATE] ==
 
* smiles:
 
* smiles:
** CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]
+
** C(=O)([O-])CC(=O)CCC(=O)[O-]
* inchi key:
+
** InChIKey=ZIZLDVKLMYVMNX-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
** 3-(4'-methylthio)butylmalate
+
** 3-oxoadipate
 +
* inchi key:
 +
** InChIKey=RTGHRDFWYQHVFW-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
** 234.267    
+
** 158.11    
 
* Synonym(s):
 
* Synonym(s):
** 3-(4'-methylthio)butylmalic acid
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** β-ketoadipate
 +
** 3-ketoadipate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXNQT-4168]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[3-OXOADIPATE-ENOL-LACTONASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-18206]]
 
 
== External links  ==
 
== External links  ==
 +
* UM-BBD-CPD : c0100
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237164 44237164]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459800 5459800]
{{#set: smiles=CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]}}
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* HMDB : HMDB00398
{{#set: inchi key=InChIKey=ZIZLDVKLMYVMNX-UHFFFAOYSA-L}}
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* LIGAND-CPD:
{{#set: common name=3-(4'-methylthio)butylmalate}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00846 C00846]
{{#set: molecular weight=234.267   }}
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* CHEMSPIDER:
{{#set: common name=3-(4'-methylthio)butylmalic acid}}
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** [http://www.chemspider.com/Chemical-Structure.4573571.html 4573571]
{{#set: consumed by=RXNQT-4168}}
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* CHEBI:
{{#set: reversible reaction associated=RXN-18206}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15775 15775]
 +
{{#set: smiles=C(=O)([O-])CC(=O)CCC(=O)[O-]}}
 +
{{#set: common name=3-oxoadipate}}
 +
{{#set: inchi key=InChIKey=RTGHRDFWYQHVFW-UHFFFAOYSA-L}}
 +
{{#set: molecular weight=158.11   }}
 +
{{#set: common name=β-ketoadipate|3-ketoadipate}}
 +
{{#set: produced by=3-OXOADIPATE-ENOL-LACTONASE-RXN}}

Latest revision as of 21:14, 21 March 2018

Metabolite 3-KETO-ADIPATE

  • smiles:
    • C(=O)([O-])CC(=O)CCC(=O)[O-]
  • common name:
    • 3-oxoadipate
  • inchi key:
    • InChIKey=RTGHRDFWYQHVFW-UHFFFAOYSA-L
  • molecular weight:
    • 158.11
  • Synonym(s):
    • β-ketoadipate
    • 3-ketoadipate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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