Difference between revisions of "CPD-8122"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZENE-NO2 BENZENE-NO2] == * smiles: ** C1(=CC=C(C=C1)[N+]([O-])=O) * inchi key: ** InChIKey=L...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8122 CPD-8122] == * smiles: ** C(OP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=NC3(C(N)=NC...")
 
(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=BENZENE-NO2 BENZENE-NO2] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8122 CPD-8122] ==
 
* smiles:
 
* smiles:
** C1(=CC=C(C=C1)[N+]([O-])=O)
+
** C(OP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=NC3(C(N)=NC=NC2=3))))C5(O[CH]4(NC6(N=C(NC(=O)C(N[CH]4C(=C5[S-])S)=6)N)))
 
* inchi key:
 
* inchi key:
** InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N
+
** InChIKey=XJXFAXLUOKQPAQ-YPRLVJTJSA-K
 
* common name:
 
* common name:
** nitrobenzene
+
** molybdopterin adenine dinucleotide
 
* molecular weight:
 
* molecular weight:
** 123.111    
+
** 721.529    
 
* Synonym(s):
 
* Synonym(s):
** benzene-NO2
+
** adenylated molybdopterin
** nitro-benzene
+
** H2Dtpp-mADP
 +
** molybdopterin-AMP
 +
** adenylyl-molybdopterin
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-3661]]
+
* [[RXN-8348]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-8344]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 98-95-3
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7416 7416]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53356704 53356704]
* HMDB : HMDB41950
+
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C06813 C06813]
+
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.7138.html 7138]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27798 27798]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62727 62727]
{{#set: smiles=C1(=CC=C(C=C1)[N+]([O-])=O)}}
+
{{#set: smiles=C(OP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=NC3(C(N)=NC=NC2=3))))C5(O[CH]4(NC6(N=C(NC(=O)C(N[CH]4C(=C5[S-])S)=6)N)))}}
{{#set: inchi key=InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=XJXFAXLUOKQPAQ-YPRLVJTJSA-K}}
{{#set: common name=nitrobenzene}}
+
{{#set: common name=molybdopterin adenine dinucleotide}}
{{#set: molecular weight=123.111   }}
+
{{#set: molecular weight=721.529   }}
{{#set: common name=benzene-NO2|nitro-benzene}}
+
{{#set: common name=adenylated molybdopterin|H2Dtpp-mADP|molybdopterin-AMP|adenylyl-molybdopterin}}
{{#set: consumed by=RXN-3661}}
+
{{#set: consumed by=RXN-8348}}
 +
{{#set: produced by=RXN-8344}}

Latest revision as of 20:58, 21 March 2018

Metabolite CPD-8122

  • smiles:
    • C(OP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=NC3(C(N)=NC=NC2=3))))C5(O[CH]4(NC6(N=C(NC(=O)C(N[CH]4C(=C5[S-])S)=6)N)))
  • inchi key:
    • InChIKey=XJXFAXLUOKQPAQ-YPRLVJTJSA-K
  • common name:
    • molybdopterin adenine dinucleotide
  • molecular weight:
    • 721.529
  • Synonym(s):
    • adenylated molybdopterin
    • H2Dtpp-mADP
    • molybdopterin-AMP
    • adenylyl-molybdopterin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(OP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=NC3(C(N)=NC=NC2=3))))C5(O[CH]4(NC6(N=C(NC(=O)C(N[CH]4C(=C5[S-])S)=6)N)))" cannot be used as a page name in this wiki.