Difference between revisions of "P-NITROPHENOL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIACETYL DIACETYL] == * smiles: ** CC(C(C)=O)=O * inchi key: ** InChIKey=QSJXEFYPDANLFS-UHFFFAO...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=P-NITROPHENOL P-NITROPHENOL] == * smiles: ** C1(C=C([O-])C=CC=1[N+](=O)[O-]) * inchi key: ** In...")
 
(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=DIACETYL DIACETYL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=P-NITROPHENOL P-NITROPHENOL] ==
 
* smiles:
 
* smiles:
** CC(C(C)=O)=O
+
** C1(C=C([O-])C=CC=1[N+](=O)[O-])
 
* inchi key:
 
* inchi key:
** InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N
+
** InChIKey=BTJIUGUIPKRLHP-UHFFFAOYSA-M
 
* common name:
 
* common name:
** diacetyl
+
** 4-nitrophenol
 
* molecular weight:
 
* molecular weight:
** 86.09    
+
** 138.102    
 
* Synonym(s):
 
* Synonym(s):
** 2,3-butanedione
+
** p-nitrophenol
** biacetyl
+
** PNP
** dimethylglyoxal
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** niphen
** 2,3-diketobutane
+
** 4-hydroxynitrobenzene
** 2,3-dioxobutane
+
** para-nitrophenol
** butadione
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** dimethyl diketone
+
** butanedione
+
  
 
== 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-6081]]
+
* [[ARYLDIALKYL-PHOSPHATASE-RXN]]
 +
* [[4-NITROPHENYLPHOSPHATASE-RXN]]
 +
* [[RXN-8746]]
 +
* [[RXN-8743]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 431-03-8
+
* CAS : 100-02-7
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=650 650]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=644235 644235]
* HMDB : HMDB03407
+
* HMDB : HMDB01232
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00741 C00741]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00870 C00870]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.630.html 630]
+
** [http://www.chemspider.com/Chemical-Structure.559254.html 559254]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16583 16583]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57917 57917]
{{#set: smiles=CC(C(C)=O)=O}}
+
* METABOLIGHTS : MTBLC57917
{{#set: inchi key=InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N}}
+
{{#set: smiles=C1(C=C([O-])C=CC=1[N+](=O)[O-])}}
{{#set: common name=diacetyl}}
+
{{#set: inchi key=InChIKey=BTJIUGUIPKRLHP-UHFFFAOYSA-M}}
{{#set: molecular weight=86.09   }}
+
{{#set: common name=4-nitrophenol}}
{{#set: common name=2,3-butanedione|biacetyl|dimethylglyoxal|2,3-diketobutane|2,3-dioxobutane|butadione|dimethyl diketone|butanedione}}
+
{{#set: molecular weight=138.102   }}
{{#set: produced by=RXN-6081}}
+
{{#set: common name=p-nitrophenol|PNP|niphen|4-hydroxynitrobenzene|para-nitrophenol}}
 +
{{#set: produced by=ARYLDIALKYL-PHOSPHATASE-RXN|4-NITROPHENYLPHOSPHATASE-RXN|RXN-8746|RXN-8743}}

Latest revision as of 19:27, 21 March 2018

Metabolite P-NITROPHENOL

  • smiles:
    • C1(C=C([O-])C=CC=1[N+](=O)[O-])
  • inchi key:
    • InChIKey=BTJIUGUIPKRLHP-UHFFFAOYSA-M
  • common name:
    • 4-nitrophenol
  • molecular weight:
    • 138.102
  • Synonym(s):
    • p-nitrophenol
    • PNP
    • niphen
    • 4-hydroxynitrobenzene
    • para-nitrophenol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 100-02-7
  • PUBCHEM:
  • HMDB : HMDB01232
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC57917
"C1(C=C([O-])C=CC=1[N+](=O)[O-])" cannot be used as a page name in this wiki.