Difference between revisions of "PRENAL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] == * smiles: ** CC(=CC=O)C * inchi key: ** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CC(=CC=O)C
 
** CC(=CC=O)C
 +
* molecular weight:
 +
** 84.118   
 
* inchi key:
 
* inchi key:
 
** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
 
** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
 
* common name:
 
* common name:
 
** 3-methyl-2-butenal
 
** 3-methyl-2-butenal
* molecular weight:
 
** 84.118   
 
 
* Synonym(s):
 
* Synonym(s):
 
** 3-methylbut-2-enal
 
** 3-methylbut-2-enal
Line 21: Line 21:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
+
* METABOLIGHTS : MTBLC15825
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020]
+
* HMDB : HMDB12157
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330]
 
** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330]
 +
* HMDB : HMDB12157
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046]
 
** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825]
* METABOLIGHTS : MTBLC15825
+
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020]
 
{{#set: smiles=CC(=CC=O)C}}
 
{{#set: smiles=CC(=CC=O)C}}
 +
{{#set: molecular weight=84.118    }}
 
{{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}}
 
{{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}}
 
{{#set: common name=3-methyl-2-butenal}}
 
{{#set: common name=3-methyl-2-butenal}}
{{#set: molecular weight=84.118    }}
 
 
{{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}}
 
{{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}}
 
{{#set: produced by=1.8.3.5-RXN|RXN-11989}}
 
{{#set: produced by=1.8.3.5-RXN|RXN-11989}}

Latest revision as of 19:03, 9 January 2019

Metabolite PRENAL

  • smiles:
    • CC(=CC=O)C
  • molecular weight:
    • 84.118
  • inchi key:
    • InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
  • common name:
    • 3-methyl-2-butenal
  • Synonym(s):
    • 3-methylbut-2-enal
    • 3,3-dimethyl-acrylaldehyde
    • prenal
    • 3-methylcrotonaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links