Difference between revisions of "INOPHOSPHOR-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18550 CPD-18550] == * smiles: ** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11552 CPD-11552] == * smiles: ** C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1) * inchi key: **...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18550 CPD-18550] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11552 CPD-11552] ==
 
* smiles:
 
* smiles:
** C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C=NC5(=CC=CC=C(N=4)5)))([O-])=O
+
** C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)
 
* inchi key:
 
* inchi key:
** InChIKey=VMJWEICPCDRXQL-SCFUHWHPSA-M
+
** InChIKey=YCJNYHCCOXVYAF-UHFFFAOYSA-M
 
* common name:
 
* common name:
** quinoxaline-2-carboxyl adenylate
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** 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
 
* molecular weight:
 
* molecular weight:
** 502.359    
+
** 222.177    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-17155]]
+
* [[RXN-10722]]
 
== 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-10721]]
 
== External links  ==
 
== External links  ==
{{#set: smiles=C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C=NC5(=CC=CC=C(N=4)5)))([O-])=O}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=VMJWEICPCDRXQL-SCFUHWHPSA-M}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145116 21145116]
{{#set: common name=quinoxaline-2-carboxyl adenylate}}
+
* CHEMSPIDER:
{{#set: molecular weight=502.359   }}
+
** [http://www.chemspider.com/Chemical-Structure.20016009.html 20016009]
{{#set: consumed by=RXN-17155}}
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C05645 C05645]
 +
* HMDB : HMDB04083
 +
{{#set: smiles=C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)}}
 +
{{#set: inchi key=InChIKey=YCJNYHCCOXVYAF-UHFFFAOYSA-M}}
 +
{{#set: common name=4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate}}
 +
{{#set: molecular weight=222.177   }}
 +
{{#set: consumed by=RXN-10722}}
 +
{{#set: reversible reaction associated=RXN-10721}}

Revision as of 20:39, 17 March 2018

Metabolite CPD-11552

  • smiles:
    • C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)
  • inchi key:
    • InChIKey=YCJNYHCCOXVYAF-UHFFFAOYSA-M
  • common name:
    • 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
  • molecular weight:
    • 222.177
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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