Difference between revisions of "RXN-14775"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8973 CPD-8973] == * smiles: ** COP(OC1(=CC=C(C=C1)[N+](=O)[O-]))(OC)=S * inchi key: ** InCh...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14706 CPD-14706] == * smiles: ** CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-] * inchi key: ** InChIKe...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8973 CPD-8973] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14706 CPD-14706] ==
 
* smiles:
 
* smiles:
** COP(OC1(=CC=C(C=C1)[N+](=O)[O-]))(OC)=S
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** CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=RLBIQVVOMOPOHC-UHFFFAOYSA-N
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** InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N
 
* common name:
 
* common name:
** methyl parathion
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** 4-hydroxy-2-nonenal-[L-Cys] conjugate
 
* molecular weight:
 
* molecular weight:
** 263.204    
+
** 277.378    
 
* Synonym(s):
 
* Synonym(s):
** dimethyl-parathion
 
** parathion-methyl
 
** methyl paration
 
** methylthiophos
 
** cekumethion
 
** oleovofotox
 
** thiophenit
 
** devithion
 
** metacide
 
** metaphos
 
** quinophos
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-8743]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13677]]
 
== 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=4130 4130]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657989 90657989]
* CHEMSPIDER:
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{{#set: smiles=CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]}}
** [http://www.chemspider.com/Chemical-Structure.3987.html 3987]
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{{#set: inchi key=InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N}}
* CHEBI:
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{{#set: common name=4-hydroxy-2-nonenal-[L-Cys] conjugate}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=38746 38746]
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{{#set: molecular weight=277.378   }}
* LIGAND-CPD:
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{{#set: produced by=RXN-13677}}
** [http://www.genome.jp/dbget-bin/www_bget?C14228 C14228]
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{{#set: smiles=COP(OC1(=CC=C(C=C1)[N+](=O)[O-]))(OC)=S}}
+
{{#set: inchi key=InChIKey=RLBIQVVOMOPOHC-UHFFFAOYSA-N}}
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{{#set: common name=methyl parathion}}
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{{#set: molecular weight=263.204   }}
+
{{#set: common name=dimethyl-parathion|parathion-methyl|methyl paration|methylthiophos|cekumethion|oleovofotox|thiophenit|devithion|metacide|metaphos|quinophos}}
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{{#set: consumed by=RXN-8743}}
+

Revision as of 16:21, 10 January 2018

Metabolite CPD-14706

  • smiles:
    • CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]
  • inchi key:
    • InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N
  • common name:
    • 4-hydroxy-2-nonenal-[L-Cys] conjugate
  • molecular weight:
    • 277.378
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-" cannot be used as a page name in this wiki.
"4-hydroxy-2-nonenal-[L-Cys] conjugate" cannot be used as a page name in this wiki.