Difference between revisions of "CPD-4581"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=7-CYANO-7-DEAZAGUANINE 7-CYANO-7-DEAZAGUANINE] == * smiles: ** C12(=C(C(NC(=N1)N)=O)C(=CN2)C#N)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18085 CPD-18085] == * smiles: ** C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=7-CYANO-7-DEAZAGUANINE 7-CYANO-7-DEAZAGUANINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18085 CPD-18085] ==
 
* smiles:
 
* smiles:
** C12(=C(C(NC(=N1)N)=O)C(=CN2)C#N)
+
** C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))CC(=CC=5)C(=O)N)
* inchi key:
+
** InChIKey=FMKSMYDYKXQYRV-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** preQ0
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** 1,2-dihydro-β-NADP
 +
* inchi key:
 +
** InChIKey=SNZSFAQYVLPEBZ-NNYOXOHSSA-J
 
* molecular weight:
 
* molecular weight:
** 175.149    
+
** 741.394    
 
* Synonym(s):
 
* Synonym(s):
** 7-cyano-7-deazaguanine
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** 2-dihydro-nicotinamide adenine dinucleotide phosphate
** 7-cyano-7-carbaguanine
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** 2DHNADP
  
 
== 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-12093]]
+
* [[RXN-16765]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB03074
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=446357 446357]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=92136136 92136136]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.393739.html 393739]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=45075 45075]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=88137 88137]
* LIGAND-CPD:
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{{#set: smiles=C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))CC(=CC=5)C(=O)N)}}
** [http://www.genome.jp/dbget-bin/www_bget?C15996 C15996]
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{{#set: common name=1,2-dihydro-β-NADP}}
{{#set: smiles=C12(=C(C(NC(=N1)N)=O)C(=CN2)C#N)}}
+
{{#set: inchi key=InChIKey=SNZSFAQYVLPEBZ-NNYOXOHSSA-J}}
{{#set: inchi key=InChIKey=FMKSMYDYKXQYRV-UHFFFAOYSA-N}}
+
{{#set: molecular weight=741.394   }}
{{#set: common name=preQ0}}
+
{{#set: common name=2-dihydro-nicotinamide adenine dinucleotide phosphate|2DHNADP}}
{{#set: molecular weight=175.149   }}
+
{{#set: produced by=RXN-16765}}
{{#set: common name=7-cyano-7-deazaguanine|7-cyano-7-carbaguanine}}
+
{{#set: produced by=RXN-12093}}
+

Revision as of 14:46, 21 March 2018

Metabolite CPD-18085

  • smiles:
    • C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))CC(=CC=5)C(=O)N)
  • common name:
    • 1,2-dihydro-β-NADP
  • inchi key:
    • InChIKey=SNZSFAQYVLPEBZ-NNYOXOHSSA-J
  • molecular weight:
    • 741.394
  • Synonym(s):
    • 2-dihydro-nicotinamide adenine dinucleotide phosphate
    • 2DHNADP

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))CC(=CC=5)C(=O)N)" cannot be used as a page name in this wiki.