Difference between revisions of "PARAOXON"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14893 CPD-14893] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PARAOXON PARAOXON] == * smiles: ** CCOP(OC1(C=CC(=CC=1)[N+]([O-])=O))(OCC)=O * inchi key: ** In...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14893 CPD-14893] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PARAOXON PARAOXON] ==
 
* smiles:
 
* smiles:
** CC(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
+
** CCOP(OC1(C=CC(=CC=1)[N+]([O-])=O))(OCC)=O
 
* inchi key:
 
* inchi key:
** InChIKey=PUGBZUWUTZUUCP-ZRKHGVCBSA-N
+
** InChIKey=WYMSBXTXOHUIGT-UHFFFAOYSA-N
 
* common name:
 
* common name:
** ergost-7-enol
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** paraoxon
 
* molecular weight:
 
* molecular weight:
** 400.687    
+
** 275.197    
 
* Synonym(s):
 
* Synonym(s):
 +
** O,O-diethyl-O-p-nitrophenylphosphoric acid
 +
** diethyl-p-nitrophenyl phosphate
 +
** phosphoric acid diethyl 4-nitrophenyl ester
 +
** diethyl paraoxon
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13883]]
+
* [[RXN-8746]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 516-78-9
+
* CAS : 311-45-5
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657800 90657800]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9395 9395]
{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
+
* HMDB : HMDB13035
{{#set: inchi key=InChIKey=PUGBZUWUTZUUCP-ZRKHGVCBSA-N}}
+
* LIGAND-CPD:
{{#set: common name=ergost-7-enol}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06606 C06606]
{{#set: molecular weight=400.687   }}
+
* CHEMSPIDER:
{{#set: consumed by=RXN-13883}}
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** [http://www.chemspider.com/Chemical-Structure.9026.html 9026]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27827 27827]
 +
{{#set: smiles=CCOP(OC1(C=CC(=CC=1)[N+]([O-])=O))(OCC)=O}}
 +
{{#set: inchi key=InChIKey=WYMSBXTXOHUIGT-UHFFFAOYSA-N}}
 +
{{#set: common name=paraoxon}}
 +
{{#set: molecular weight=275.197   }}
 +
{{#set: common name=O,O-diethyl-O-p-nitrophenylphosphoric acid|diethyl-p-nitrophenyl phosphate|phosphoric acid diethyl 4-nitrophenyl ester|diethyl paraoxon}}
 +
{{#set: consumed by=RXN-8746}}

Latest revision as of 19:49, 21 March 2018

Metabolite PARAOXON

  • smiles:
    • CCOP(OC1(C=CC(=CC=1)[N+]([O-])=O))(OCC)=O
  • inchi key:
    • InChIKey=WYMSBXTXOHUIGT-UHFFFAOYSA-N
  • common name:
    • paraoxon
  • molecular weight:
    • 275.197
  • Synonym(s):
    • O,O-diethyl-O-p-nitrophenylphosphoric acid
    • diethyl-p-nitrophenyl phosphate
    • phosphoric acid diethyl 4-nitrophenyl ester
    • diethyl paraoxon

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 311-45-5
  • PUBCHEM:
  • HMDB : HMDB13035
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
"CCOP(OC1(C=CC(=CC=1)[N+]([O-])=O))(OCC)=O" cannot be used as a page name in this wiki.