Difference between revisions of "CPD-7036"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SELENATE SELENATE] == * smiles: ** O=[Se](=O)([O-])[O-] * inchi key: ** InChIKey=QYHFIVBSNOWOCQ...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7036 CPD-7036] == * smiles: ** CSCCC=O * common name: ** 3-methylthiopropanal * inchi key:...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SELENATE SELENATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7036 CPD-7036] ==
 
* smiles:
 
* smiles:
** O=[Se](=O)([O-])[O-]
+
** CSCCC=O
* inchi key:
+
** InChIKey=QYHFIVBSNOWOCQ-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
** selenate
+
** 3-methylthiopropanal
 +
* inchi key:
 +
** InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 142.958    
+
** 104.167    
 
* Synonym(s):
 
* Synonym(s):
 +
** methional
 +
** 3-methylthiopropional
 +
** 3-methylthio-propionaldehyde
 +
** 3-methylsulfanyl-propanal
 +
** 3-methylmercapto-propionaldehyde
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12720]]
+
* [[RXN-7706]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* Wikipedia : Selenate
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=26473 26473]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18635 18635]
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C05697 C05697]
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* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.1058.html 1058]
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** [http://www.chemspider.com/Chemical-Structure.17597.html 17597]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15075 15075]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49017 49017]
* METABOLIGHTS : MTBLC15075
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* HMDB : HMDB31857
{{#set: smiles=O=[Se](=O)([O-])[O-]}}
+
{{#set: smiles=CSCCC=O}}
{{#set: inchi key=InChIKey=QYHFIVBSNOWOCQ-UHFFFAOYSA-L}}
+
{{#set: common name=3-methylthiopropanal}}
{{#set: common name=selenate}}
+
{{#set: inchi key=InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N}}
{{#set: molecular weight=142.958    }}
+
{{#set: molecular weight=104.167    }}
{{#set: consumed by=RXN-12720}}
+
{{#set: common name=methional|3-methylthiopropional|3-methylthio-propionaldehyde|3-methylsulfanyl-propanal|3-methylmercapto-propionaldehyde}}
 +
{{#set: consumed by=RXN-7706}}

Latest revision as of 19:15, 21 March 2018

Metabolite CPD-7036

  • smiles:
    • CSCCC=O
  • common name:
    • 3-methylthiopropanal
  • inchi key:
    • InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N
  • molecular weight:
    • 104.167
  • Synonym(s):
    • methional
    • 3-methylthiopropional
    • 3-methylthio-propionaldehyde
    • 3-methylsulfanyl-propanal
    • 3-methylmercapto-propionaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links