Difference between revisions of "CPD-3187"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-GLUCARATE D-GLUCARATE] == * smiles: ** C(=O)(C(O)C(O)C(O)C(O)C(=O)[O-])[O-] * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3187 CPD-3187] == * smiles: ** C1(CCC(O)([N+](C)1)C2(=CN=CC=C2)) * common name: ** 2'-hydro...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-GLUCARATE D-GLUCARATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3187 CPD-3187] ==
 
* smiles:
 
* smiles:
** C(=O)(C(O)C(O)C(O)C(O)C(=O)[O-])[O-]
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** C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))
* inchi key:
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** InChIKey=DSLZVSRJTYRBFB-LLEIAEIESA-L
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* common name:
 
* common name:
** D-glucarate
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** 2'-hydroxynicotine
 +
* inchi key:
 +
** InChIKey=BOQRPPFUUSHFGW-SNVBAGLBSA-O
 
* molecular weight:
 
* molecular weight:
** 208.124    
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** 179.241    
 
* Synonym(s):
 
* Synonym(s):
** glucarate
 
** D-glucaric acid
 
** L-gularic acid
 
** D-saccharic acid
 
** D-glucosaccharic acid
 
** saccharate
 
** (D)-glucarate
 
** D-saccharate
 
  
 
== 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 ==
 +
* [[RXN66-146]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14225]]
 
 
== External links  ==
 
== External links  ==
* CAS : 87-73-0
 
* METABOLIGHTS : MTBLC30612
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5288393 5288393]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245599 25245599]
* HMDB : HMDB29881
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* HMDB : HMDB01329
* LIGAND-CPD:
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{{#set: smiles=C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))}}
** [http://www.genome.jp/dbget-bin/www_bget?C00818 C00818]
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{{#set: common name=2'-hydroxynicotine}}
* CHEMSPIDER:
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{{#set: inchi key=InChIKey=BOQRPPFUUSHFGW-SNVBAGLBSA-O}}
** [http://www.chemspider.com/Chemical-Structure.4450583.html 4450583]
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{{#set: molecular weight=179.241   }}
* CHEBI:
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{{#set: produced by=RXN66-146}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30612 30612]
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* BIGG : glcr
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{{#set: smiles=C(=O)(C(O)C(O)C(O)C(O)C(=O)[O-])[O-]}}
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{{#set: inchi key=InChIKey=DSLZVSRJTYRBFB-LLEIAEIESA-L}}
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{{#set: common name=D-glucarate}}
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{{#set: molecular weight=208.124   }}
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{{#set: common name=glucarate|D-glucaric acid|L-gularic acid|D-saccharic acid|D-glucosaccharic acid|saccharate|(D)-glucarate|D-saccharate}}
+
{{#set: consumed or produced by=RXN-14225}}
+

Latest revision as of 20:59, 21 March 2018

Metabolite CPD-3187

  • smiles:
    • C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))
  • common name:
    • 2'-hydroxynicotine
  • inchi key:
    • InChIKey=BOQRPPFUUSHFGW-SNVBAGLBSA-O
  • molecular weight:
    • 179.241
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))" cannot be used as a page name in this wiki.