Difference between revisions of "3-HYDROXY-CISCIS-MUCONATE"

From metabolic_network
Jump to: navigation, search
(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) * inchi key: ** InChIKey=DAJDH...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-CISCIS-MUCONATE 3-HYDROXY-CISCIS-MUCONATE] == * smiles: ** C(=CC(=O)[O-])C(O)=CC(=O)[...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10825 CPD-10825] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-HYDROXY-CISCIS-MUCONATE 3-HYDROXY-CISCIS-MUCONATE] ==
 
* smiles:
 
* smiles:
** CC1(=C(OC(C1)=O)CC([O-])=O)
+
** C(=CC(=O)[O-])C(O)=CC(=O)[O-]
* inchi key:
+
** InChIKey=DAJDHKXIQYXYPH-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** 4-methyl-3-oxoadipate-enol-lactone
+
** 3-hydroxy-cis,cis-muconate
 +
* inchi key:
 +
** InChIKey=DLKZGMNZEDNHKO-BXTBVDPRSA-L
 
* molecular weight:
 
* molecular weight:
** 155.13    
+
** 156.095    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[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 ==
 +
* [[RXN-9922]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44123582 44123582]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54729369 54729369]
{{#set: smiles=CC1(=C(OC(C1)=O)CC([O-])=O)}}
+
* CHEBI:
{{#set: inchi key=InChIKey=DAJDHKXIQYXYPH-UHFFFAOYSA-M}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58139 58139]
{{#set: common name=4-methyl-3-oxoadipate-enol-lactone}}
+
* LIGAND-CPD:
{{#set: molecular weight=155.13   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03676 C03676]
{{#set: consumed by=RXN-10083}}
+
{{#set: smiles=C(=CC(=O)[O-])C(O)=CC(=O)[O-]}}
 +
{{#set: common name=3-hydroxy-cis,cis-muconate}}
 +
{{#set: inchi key=InChIKey=DLKZGMNZEDNHKO-BXTBVDPRSA-L}}
 +
{{#set: molecular weight=156.095   }}
 +
{{#set: reversible reaction associated=RXN-9922}}

Latest revision as of 20:19, 21 March 2018

Metabolite 3-HYDROXY-CISCIS-MUCONATE

  • smiles:
    • C(=CC(=O)[O-])C(O)=CC(=O)[O-]
  • common name:
    • 3-hydroxy-cis,cis-muconate
  • inchi key:
    • InChIKey=DLKZGMNZEDNHKO-BXTBVDPRSA-L
  • molecular weight:
    • 156.095
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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