Difference between revisions of "RXN-14775"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14706 CPD-14706] == * smiles: ** CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-] * inchi key: ** InChIKe...")
(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...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14706 CPD-14706] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLYCEROL GLYCEROL] ==
 
* smiles:
 
* smiles:
** CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]
+
** C(C(O)CO)O
 
* inchi key:
 
* inchi key:
** InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N
+
** InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 4-hydroxy-2-nonenal-[L-Cys] conjugate
+
** glycerol
 
* molecular weight:
 
* molecular weight:
** 277.378    
+
** 92.094    
 
* 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 ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13677]]
+
* [[RXN-15088]]
 +
* [[3.1.1.23-RXN]]
 +
* [[RXN-15089]]
 +
* [[RXN-11382]]
 +
* [[RXN-14073]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[GLYCEROL-DEHYDROGENASE-NADP+-RXN]]
 +
* [[ALCD19]]
 +
* [[GLYCEROL-KIN-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 56-81-5
 +
* METABOLIGHTS : MTBLC17754
 +
* DRUGBANK : DB04077
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657989 90657989]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=753 753]
{{#set: smiles=CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]}}
+
* HMDB : HMDB00131
{{#set: inchi key=InChIKey=SALPDUSHMTYYOH-UHFFFAOYSA-N}}
+
* LIGAND-CPD:
{{#set: common name=4-hydroxy-2-nonenal-[L-Cys] conjugate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00116 C00116]
{{#set: molecular weight=277.378   }}
+
* CHEMSPIDER:
{{#set: produced by=RXN-13677}}
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** [http://www.chemspider.com/Chemical-Structure.733.html 733]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17754 17754]
 +
* BIGG : glyc
 +
{{#set: smiles=C(C(O)CO)O}}
 +
{{#set: inchi key=InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N}}
 +
{{#set: common name=glycerol}}
 +
{{#set: molecular weight=92.094   }}
 +
{{#set: common name=1,2,3-trihydroxypropane|glycerin|1,2,3-trihydroxypropanol}}
 +
{{#set: produced by=RXN-15088|3.1.1.23-RXN|RXN-15089|RXN-11382|RXN-14073}}
 +
{{#set: reversible reaction associated=GLYCEROL-DEHYDROGENASE-NADP+-RXN|ALCD19|GLYCEROL-KIN-RXN}}

Revision as of 19:18, 18 March 2018

Metabolite GLYCEROL

  • smiles:
    • C(C(O)CO)O
  • inchi key:
    • InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N
  • common name:
    • glycerol
  • molecular weight:
    • 92.094
  • Synonym(s):
    • 1,2,3-trihydroxypropane
    • glycerin
    • 1,2,3-trihydroxypropanol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 56-81-5
  • METABOLIGHTS : MTBLC17754
  • DRUGBANK : DB04077
  • PUBCHEM:
  • HMDB : HMDB00131
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : glyc