Difference between revisions of "METHYL-GLYOXAL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-30 CPD-30] == * smiles: ** CC(NCCC[CH]=O)=O * inchi key: ** InChIKey=DDSLGZOYEPKPSJ-UHFFFAO...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-30 CPD-30] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-GLYOXAL METHYL-GLYOXAL] ==
 
* smiles:
 
* smiles:
** CC(NCCC[CH]=O)=O
+
** CC([CH]=O)=O
 +
* molecular weight:
 +
** 72.063   
 
* inchi key:
 
* inchi key:
** InChIKey=DDSLGZOYEPKPSJ-UHFFFAOYSA-N
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** InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 4-acetamidobutanal
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** methylglyoxal
* molecular weight:
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** 129.158   
+
 
* Synonym(s):
 
* Synonym(s):
** N-acetyl-γ-aminobutyraldehyde
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** 2-oxopropanal
** N-acetyl-4-aminobutanal
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** acetylformaldehyde
 +
** pyruvic aldehyde
 +
** pyruvaldehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-37]]
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* [[GLYOXIII-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17627]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[GLYOXI-RXN]]
 
== External links  ==
 
== External links  ==
* PUBCHEM:
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* METABOLIGHTS : MTBLC17158
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=440850 440850]
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* CAS : 78-98-8
* HMDB : HMDB04226
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05936 C05936]
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** [http://www.genome.jp/dbget-bin/www_bget?C00546 C00546]
 +
* HMDB : HMDB01167
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.389692.html 389692]
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** [http://www.chemspider.com/Chemical-Structure.857.html 857]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7386 7386]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17158 17158]
* METABOLIGHTS : MTBLC7386
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* DRUGBANK : DB03587
{{#set: smiles=CC(NCCC[CH]=O)=O}}
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* PUBCHEM:
{{#set: inchi key=InChIKey=DDSLGZOYEPKPSJ-UHFFFAOYSA-N}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=880 880]
{{#set: common name=4-acetamidobutanal}}
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* BIGG : mthgxl
{{#set: molecular weight=129.158    }}
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{{#set: smiles=CC([CH]=O)=O}}
{{#set: common name=N-acetyl-γ-aminobutyraldehyde|N-acetyl-4-aminobutanal}}
+
{{#set: molecular weight=72.063    }}
{{#set: consumed by=RXN-37}}
+
{{#set: inchi key=InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N}}
 +
{{#set: common name=methylglyoxal}}
 +
{{#set: common name=2-oxopropanal|acetylformaldehyde|pyruvic aldehyde|pyruvaldehyde}}
 +
{{#set: consumed by=GLYOXIII-RXN}}
 +
{{#set: produced by=RXN-17627}}
 +
{{#set: reversible reaction associated=GLYOXI-RXN}}

Latest revision as of 17:43, 9 January 2019

Metabolite METHYL-GLYOXAL

  • smiles:
    • CC([CH]=O)=O
  • molecular weight:
    • 72.063
  • inchi key:
    • InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N
  • common name:
    • methylglyoxal
  • Synonym(s):
    • 2-oxopropanal
    • acetylformaldehyde
    • pyruvic aldehyde
    • pyruvaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC17158
  • CAS : 78-98-8
  • LIGAND-CPD:
  • HMDB : HMDB01167
  • CHEMSPIDER:
  • CHEBI:
  • DRUGBANK : DB03587
  • PUBCHEM:
  • BIGG : mthgxl
"CC([CH]=O)=O" cannot be used as a page name in this wiki.