Difference between revisions of "PWY-7277"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DITHIOTHREITOL DITHIOTHREITOL] == * smiles: ** C(S)C(O)C(O)CS * inchi key: ** InChIKey=VHJLVAAB...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3483 CPD-3483] == * smiles: ** CC([N+]C(C)(C)CO)C(=O)C1(C=CC=C(Cl)C=1) * inchi key: ** InCh...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DITHIOTHREITOL DITHIOTHREITOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3483 CPD-3483] ==
 
* smiles:
 
* smiles:
** C(S)C(O)C(O)CS
+
** CC([N+]C(C)(C)CO)C(=O)C1(C=CC=C(Cl)C=1)
 
* inchi key:
 
* inchi key:
** InChIKey=VHJLVAABSRFDPM-IMJSIDKUSA-N
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** InChIKey=AKOAEVOSDHIVFX-UHFFFAOYSA-O
 
* common name:
 
* common name:
** L-dithiothreitol
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** hydroxybupropion
 
* molecular weight:
 
* molecular weight:
** 154.242    
+
** 256.752    
 
* Synonym(s):
 
* Synonym(s):
** L-DTT
 
** L-threo-1,4-dimercapto-2,3-butanediol
 
** L-1,4-disulfanylbutane-2,3-diol
 
** L-1,4-dithiothreitol
 
  
 
== 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 ==
 +
* [[RXN66-181]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[1.1.4.1-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 3483-12-3
 
* Wikipedia : Dithiothreitol
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439196 439196]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202442 25202442]
* HMDB : HMDB13593
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* HMDB : HMDB12235
* LIGAND-CPD:
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{{#set: smiles=CC([N+]C(C)(C)CO)C(=O)C1(C=CC=C(Cl)C=1)}}
** [http://www.genome.jp/dbget-bin/www_bget?C00265 C00265]
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{{#set: inchi key=InChIKey=AKOAEVOSDHIVFX-UHFFFAOYSA-O}}
* CHEMSPIDER:
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{{#set: common name=hydroxybupropion}}
** [http://www.chemspider.com/Chemical-Structure.388336.html 388336]
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{{#set: molecular weight=256.752   }}
* CHEBI:
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{{#set: produced by=RXN66-181}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=42106 42106]
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* METABOLIGHTS : MTBLC42106
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{{#set: smiles=C(S)C(O)C(O)CS}}
+
{{#set: inchi key=InChIKey=VHJLVAABSRFDPM-IMJSIDKUSA-N}}
+
{{#set: common name=L-dithiothreitol}}
+
{{#set: molecular weight=154.242   }}
+
{{#set: common name=L-DTT|L-threo-1,4-dimercapto-2,3-butanediol|L-1,4-disulfanylbutane-2,3-diol|L-1,4-dithiothreitol}}
+
{{#set: consumed or produced by=1.1.4.1-RXN}}
+

Revision as of 16:07, 10 January 2018

Metabolite CPD-3483

  • smiles:
    • CC([N+]C(C)(C)CO)C(=O)C1(C=CC=C(Cl)C=1)
  • inchi key:
    • InChIKey=AKOAEVOSDHIVFX-UHFFFAOYSA-O
  • common name:
    • hydroxybupropion
  • molecular weight:
    • 256.752
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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