Difference between revisions of "1-CHLORO-24-DINITROBENZENE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8123 CPD-8123] == * smiles: ** C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)(=O)SC=1[CH]3([CH](O2)NC4(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-CHLORO-24-DINITROBENZENE 1-CHLORO-24-DINITROBENZENE] == * smiles: ** C1(C=C(Cl)C(=CC=1[N+]([O...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8123 CPD-8123] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-CHLORO-24-DINITROBENZENE 1-CHLORO-24-DINITROBENZENE] ==
 
* smiles:
 
* smiles:
−
** C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)(=O)SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))
+
** C1(C=C(Cl)C(=CC=1[N+]([O-])=O)[N+]([O-])=O)
 
* common name:
 
* common name:
−
** MoO2-molybdopterin cofactor
+
** 1-chloro-2,4-dinitrobenzene
 
* inchi key:
 
* inchi key:
−
** InChIKey=HDAJUGGARUFROU-JSUDGWJLSA-J
+
** InChIKey=VYZAHLCBVHPDDF-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 519.251    
+
** 202.554    
 
* Synonym(s):
 
* Synonym(s):
−
** MoCo (dioxyo)
+
** CDNB
−
** molybdenum cofactor (dioxyo)
+
−
** MoO2(OH)Dtpp-mP
+
−
** {[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdate
+
−
** MoO2-Mo-MPT
+
  
 
== 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-8348]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[GST-RXN]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70680283 70680283]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6 6]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.13868426.html 13868426]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71302 71302]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=34718 34718]
−
{{#set: smiles=C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)(=O)SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))}}
+
* LIGAND-CPD:
−
{{#set: common name=MoO2-molybdopterin cofactor}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C14397 C14397]
−
{{#set: inchi key=InChIKey=HDAJUGGARUFROU-JSUDGWJLSA-J}}
+
* NCI:
−
{{#set: molecular weight=519.251   }}
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=6292 6292]
−
{{#set: common name=MoCo (dioxyo)|molybdenum cofactor (dioxyo)|MoO2(OH)Dtpp-mP|{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS)-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdate|MoO2-Mo-MPT}}
+
{{#set: smiles=C1(C=C(Cl)C(=CC=1[N+]([O-])=O)[N+]([O-])=O)}}
−
{{#set: produced by=RXN-8348}}
+
{{#set: common name=1-chloro-2,4-dinitrobenzene}}
 +
{{#set: inchi key=InChIKey=VYZAHLCBVHPDDF-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=202.554   }}
 +
{{#set: common name=CDNB}}
 +
{{#set: reversible reaction associated=GST-RXN}}

Latest revision as of 20:21, 21 March 2018

Metabolite 1-CHLORO-24-DINITROBENZENE

  • smiles:
    • C1(C=C(Cl)C(=CC=1[N+]([O-])=O)[N+]([O-])=O)
  • common name:
    • 1-chloro-2,4-dinitrobenzene
  • inchi key:
    • InChIKey=VYZAHLCBVHPDDF-UHFFFAOYSA-N
  • molecular weight:
    • 202.554
  • Synonym(s):
    • CDNB

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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



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