Difference between revisions of "RXN-6642"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLYCEROL GLYCEROL] == * smiles: ** C(C(O)CO)O * inchi key: ** InChIKey=PEDCQBHIVMGVHV-UHFFFAOYS...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AGMATHINE AGMATHINE] == * smiles: ** C(CCC[N+])NC(=[N+])N * inchi key: ** InChIKey=QYPPJABKJHAV...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLYCEROL GLYCEROL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=AGMATHINE AGMATHINE] ==
 
* smiles:
 
* smiles:
** C(C(O)CO)O
+
** C(CCC[N+])NC(=[N+])N
 
* inchi key:
 
* inchi key:
** InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N
+
** InChIKey=QYPPJABKJHAVHS-UHFFFAOYSA-P
 
* common name:
 
* common name:
** glycerol
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** agmatine
 
* molecular weight:
 
* molecular weight:
** 92.094    
+
** 132.208    
 
* Synonym(s):
 
* Synonym(s):
** 1,2,3-trihydroxypropane
 
** glycerin
 
** 1,2,3-trihydroxypropanol
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[biomass_rxn]]
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* [[AGMATIN-RXN]]
 +
* [[AGMATINE-DEIMINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[3.1.1.23-RXN]]
 
* [[RXN-14073]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[GLYCEROL-DEHYDROGENASE-NADP+-RXN]]
 
* [[GLYCEROL-KIN-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 56-81-5
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* CAS : 306-60-5
* BIGG : 33915
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* BIGG : 34153
* DRUGBANK : DB04077
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* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=753 753]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5257176 5257176]
* HMDB : HMDB00131
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* HMDB : HMDB01432
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00116 C00116]
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** [http://www.genome.jp/dbget-bin/www_bget?C00179 C00179]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.733.html 733]
+
** [http://www.chemspider.com/Chemical-Structure.4422891.html 4422891]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17754 17754]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58145 58145]
* METABOLIGHTS : MTBLC17754
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* METABOLIGHTS : MTBLC58145
{{#set: smiles=C(C(O)CO)O}}
+
{{#set: smiles=C(CCC[N+])NC(=[N+])N}}
{{#set: inchi key=InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=QYPPJABKJHAVHS-UHFFFAOYSA-P}}
{{#set: common name=glycerol}}
+
{{#set: common name=agmatine}}
{{#set: molecular weight=92.094   }}
+
{{#set: molecular weight=132.208   }}
{{#set: common name=1,2,3-trihydroxypropane|glycerin|1,2,3-trihydroxypropanol}}
+
{{#set: consumed by=AGMATIN-RXN|AGMATINE-DEIMINASE-RXN}}
{{#set: consumed by=biomass_rxn}}
+
{{#set: produced by=3.1.1.23-RXN|RXN-14073}}
+
{{#set: reversible reaction associated=GLYCEROL-DEHYDROGENASE-NADP+-RXN|GLYCEROL-KIN-RXN}}
+

Revision as of 13:25, 21 March 2018

Metabolite AGMATHINE

  • smiles:
    • C(CCC[N+])NC(=[N+])N
  • inchi key:
    • InChIKey=QYPPJABKJHAVHS-UHFFFAOYSA-P
  • common name:
    • agmatine
  • molecular weight:
    • 132.208
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 306-60-5
  • BIGG : 34153
  • PUBCHEM:
  • HMDB : HMDB01432
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC58145
"C(CCC[N+])NC(=[N+])N" cannot be used as a page name in this wiki.