Difference between revisions of "Ec-20 003120"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-194 CPD-194] == * smiles: ** C1(=CC(OP([O-])(=O)[O-])=CC=C([N+]([O-])=O)1) * inchi key: **...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITP ITP] == * smiles: ** C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-194 CPD-194] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITP ITP] ==
 
* smiles:
 
* smiles:
−
** C1(=CC(OP([O-])(=O)[O-])=CC=C([N+]([O-])=O)1)
+
** C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))
 
* inchi key:
 
* inchi key:
−
** InChIKey=XZKIHKMTEMTJQX-UHFFFAOYSA-L
+
** InChIKey=HAEJPQIATWHALX-KQYNXXCUSA-J
 
* common name:
 
* common name:
−
** 4-nitrophenyl phosphate
+
** ITP
 
* molecular weight:
 
* molecular weight:
−
** 217.074    
+
** 504.137    
 
* Synonym(s):
 
* Synonym(s):
−
** para-nitrophenyl phosphate
+
** inosine triphosphate
−
** nitrophenol-P
+
−
** NO2-phen-P
+
−
** nitrophenol-phosphate
+
−
** p-nitrophenyl phosphate
+
−
** pNPP
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[4-NITROPHENYLPHOSPHATASE-RXN]]
+
* [[RXN0-5073]]
 +
* [[RXN0-6382]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14120]]
 
== External links  ==
 
== External links  ==
−
* CAS : 330-13-2
+
* CAS : 132-06-9
−
* Wikipedia : Para-Nitrophenylphosphate
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4686862 4686862]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25796439 25796439]
 +
* HMDB : HMDB00189
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03360 C03360]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00081 C00081]
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.3874764.html 3874764]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61146 61146]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61402 61402]
−
* METABOLIGHTS : MTBLC61146
+
* BIGG : 33780
−
{{#set: smiles=C1(=CC(OP([O-])(=O)[O-])=CC=C([N+]([O-])=O)1)}}
+
{{#set: smiles=C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))}}
−
{{#set: inchi key=InChIKey=XZKIHKMTEMTJQX-UHFFFAOYSA-L}}
+
{{#set: inchi key=InChIKey=HAEJPQIATWHALX-KQYNXXCUSA-J}}
−
{{#set: common name=4-nitrophenyl phosphate}}
+
{{#set: common name=ITP}}
−
{{#set: molecular weight=217.074   }}
+
{{#set: molecular weight=504.137   }}
−
{{#set: common name=para-nitrophenyl phosphate|nitrophenol-P|NO2-phen-P|nitrophenol-phosphate|p-nitrophenyl phosphate|pNPP}}
+
{{#set: common name=inosine triphosphate}}
−
{{#set: consumed by=4-NITROPHENYLPHOSPHATASE-RXN}}
+
{{#set: consumed by=RXN0-5073|RXN0-6382}}
 +
{{#set: reversible reaction associated=RXN-14120}}

Revision as of 14:52, 21 March 2018

Metabolite ITP

  • smiles:
    • C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))
  • inchi key:
    • InChIKey=HAEJPQIATWHALX-KQYNXXCUSA-J
  • common name:
    • ITP
  • molecular weight:
    • 504.137
  • Synonym(s):
    • inosine triphosphate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 132-06-9
  • PUBCHEM:
  • HMDB : HMDB00189
  • LIGAND-CPD:
  • CHEBI:
  • BIGG : 33780
"C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))" cannot be used as a page name in this wiki.




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