Difference between revisions of "CPD-9924"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11878 CPD-11878] == * smiles: ** C(O)C(O)C1(C=CC(O)=C(O)C=1) * inchi key: ** InChIKey=MTVWF...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9924 CPD-9924] == * smiles: ** C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-]) *...")
 
(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=CPD-11878 CPD-11878] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9924 CPD-9924] ==
 
* smiles:
 
* smiles:
** C(O)C(O)C1(C=CC(O)=C(O)C=1)
+
** C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-])
* inchi key:
+
** InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N
+
 
* common name:
 
* common name:
** 3,4-dihydroxyphenylglycol
+
** 2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate
 +
* inchi key:
 +
** InChIKey=JKJGLRGLOMRXFN-MVWJERBFSA-K
 
* molecular weight:
 
* molecular weight:
** 170.165    
+
** 325.251    
 
* Synonym(s):
 
* Synonym(s):
** dihydroxyphenylethylene glycol
+
** SEPHCHC
** 3,4-dihydroxyphenylethyleneglycol
+
** 5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate
** DHPG
+
** DOPEG
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-9310]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10911]]
+
* [[2.5.1.64-RXN]]
 
== 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=6951097 6951097]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657446 90657446]
* HMDB : HMDB00318
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C05576 C05576]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.82648.html 82648]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1387 1387]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50271 50271]
* METABOLIGHTS : MTBLC1387
+
* LIGAND-CPD:
{{#set: smiles=C(O)C(O)C1(C=CC(O)=C(O)C=1)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C16519 C16519]
{{#set: inchi key=InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N}}
+
{{#set: smiles=C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-])}}
{{#set: common name=3,4-dihydroxyphenylglycol}}
+
{{#set: common name=2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate}}
{{#set: molecular weight=170.165   }}
+
{{#set: inchi key=InChIKey=JKJGLRGLOMRXFN-MVWJERBFSA-K}}
{{#set: common name=dihydroxyphenylethylene glycol|3,4-dihydroxyphenylethyleneglycol|DHPG|DOPEG}}
+
{{#set: molecular weight=325.251   }}
{{#set: produced by=RXN-10911}}
+
{{#set: common name=SEPHCHC|5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate}}
 +
{{#set: consumed by=RXN-9310}}
 +
{{#set: produced by=2.5.1.64-RXN}}

Latest revision as of 19:56, 21 March 2018

Metabolite CPD-9924

  • smiles:
    • C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-])
  • common name:
    • 2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate
  • inchi key:
    • InChIKey=JKJGLRGLOMRXFN-MVWJERBFSA-K
  • molecular weight:
    • 325.251
  • Synonym(s):
    • SEPHCHC
    • 5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-])" cannot be used as a page name in this wiki.