Difference between revisions of "CPD-18085"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=7-METHYLXANTHINE 7-METHYLXANTHINE] == * smiles: ** CN1(C=NC2(NC(=O)NC(=O)C1=2)) * inchi key: **...")
(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-METHYLXANTHINE 7-METHYLXANTHINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18085 CPD-18085] ==
 
* smiles:
 
* smiles:
−
** CN1(C=NC2(NC(=O)NC(=O)C1=2))
+
** 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:
 
* inchi key:
−
** InChIKey=PFWLFWPASULGAN-UHFFFAOYSA-N
+
** InChIKey=SNZSFAQYVLPEBZ-NNYOXOHSSA-J
 
* common name:
 
* common name:
−
** 7-methylxanthine
+
** 1,2-dihydro-β-NADP
 
* molecular weight:
 
* molecular weight:
−
** 166.139    
+
** 741.394    
 
* Synonym(s):
 
* Synonym(s):
−
** heteroxanthine
+
** 2-dihydro-nicotinamide adenine dinucleotide phosphate
−
** 3,7-dihydro-7-methyl-1H-purine-2,6-dione
+
** 2DHNADP
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11521]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-16765]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* PUBCHEM:
+
{{#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://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=68374 68374]
+
{{#set: inchi key=InChIKey=SNZSFAQYVLPEBZ-NNYOXOHSSA-J}}
−
* CHEMSPIDER:
+
{{#set: common name=1,2-dihydro-β-NADP}}
−
** [http://www.chemspider.com/Chemical-Structure.61660.html 61660]
+
{{#set: molecular weight=741.394   }}
−
* CHEBI:
+
{{#set: common name=2-dihydro-nicotinamide adenine dinucleotide phosphate|2DHNADP}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48991 48991]
+
{{#set: produced by=RXN-16765}}
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C16353 C16353]
+
−
* HMDB : HMDB01991
+
−
{{#set: smiles=CN1(C=NC2(NC(=O)NC(=O)C1=2))}}
+
−
{{#set: inchi key=InChIKey=PFWLFWPASULGAN-UHFFFAOYSA-N}}
+
−
{{#set: common name=7-methylxanthine}}
+
−
{{#set: molecular weight=166.139   }}
+
−
{{#set: common name=heteroxanthine|3,7-dihydro-7-methyl-1H-purine-2,6-dione}}
+
−
{{#set: consumed by=RXN-11521}}
+

Latest revision as of 19:01, 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)
  • inchi key:
    • InChIKey=SNZSFAQYVLPEBZ-NNYOXOHSSA-J
  • common name:
    • 1,2-dihydro-β-NADP
  • 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.



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