Difference between revisions of "CPD-650"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] == * smiles: ** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O) * inchi ke...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUCONATE GLUCONATE] == * smiles: ** C(O)C(O)C(O)C(O)C(O)C(=O)[O-] * common name: ** D-gluconat...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLUCONATE GLUCONATE] ==
 
* smiles:
 
* smiles:
** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)
+
** C(O)C(O)C(O)C(O)C(O)C(=O)[O-]
* inchi key:
+
** InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
+
 
* common name:
 
* common name:
** (-)-epicatechin
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** D-gluconate
 +
* inchi key:
 +
** InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-M
 
* molecular weight:
 
* molecular weight:
** 290.272    
+
** 195.149    
 
* Synonym(s):
 
* Synonym(s):
** epicatechin
+
** D-gluconic acid
** 2,3-cis-epicatechin
+
** dextronic acid
 +
** maltonic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9725]]
+
* [[GLUCONOLACT-RXN]]
 +
* [[RXN-17754]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIPID_MAPS : LMPK12020003
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* CAS : 526-95-4
 +
* BIGG : glcn
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72276 72276]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6419706 6419706]
* HMDB : HMDB01871
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* HMDB : HMDB00625
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C09727 C09727]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00257 C00257]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.65230.html 65230]
+
** [http://www.chemspider.com/Chemical-Structure.4925340.html 4925340]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=90 90]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18391 18391]
* METABOLIGHTS : MTBLC90
+
* METABOLIGHTS : MTBLC18391
{{#set: smiles=C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)}}
+
{{#set: smiles=C(O)C(O)C(O)C(O)C(O)C(=O)[O-]}}
{{#set: inchi key=InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N}}
+
{{#set: common name=D-gluconate}}
{{#set: common name=(-)-epicatechin}}
+
{{#set: inchi key=InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-M}}
{{#set: molecular weight=290.272   }}
+
{{#set: molecular weight=195.149   }}
{{#set: common name=epicatechin|2,3-cis-epicatechin}}
+
{{#set: common name=D-gluconic acid|dextronic acid|maltonic acid}}
{{#set: produced by=RXN-9725}}
+
{{#set: produced by=GLUCONOLACT-RXN|RXN-17754}}

Revision as of 15:53, 21 March 2018

Metabolite GLUCONATE

  • smiles:
    • C(O)C(O)C(O)C(O)C(O)C(=O)[O-]
  • common name:
    • D-gluconate
  • inchi key:
    • InChIKey=RGHNJXZEOKUKBD-SQOUGZDYSA-M
  • molecular weight:
    • 195.149
  • Synonym(s):
    • D-gluconic acid
    • dextronic acid
    • maltonic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 526-95-4
  • BIGG : glcn
  • PUBCHEM:
  • HMDB : HMDB00625
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC18391
"C(O)C(O)C(O)C(O)C(O)C(=O)[O-" cannot be used as a page name in this wiki.