Difference between revisions of "CPD-19065"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HEXANAL HEXANAL] == * smiles: ** CCCCC[CH]=O * common name: ** 1-hexanal * inchi key: ** InChIK...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19065 CPD-19065] == * smiles: ** CC(=O)C(O)O * inchi key: ** InChIKey=UOQFZGVGGMHGEE-UHFFFA...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HEXANAL HEXANAL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19065 CPD-19065] ==
 
* smiles:
 
* smiles:
** CCCCC[CH]=O
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** CC(=O)C(O)O
* common name:
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** 1-hexanal
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* inchi key:
 
* inchi key:
** InChIKey=JARKCYVAAOWBJS-UHFFFAOYSA-N
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** InChIKey=UOQFZGVGGMHGEE-UHFFFAOYSA-N
 +
* common name:
 +
** 1,1-dihydroxypropan-2-one
 
* molecular weight:
 
* molecular weight:
** 100.16    
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** 90.079    
 
* Synonym(s):
 
* Synonym(s):
** hexaldehyde
 
  
 
== 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-12568-HEXANAL/CO-A/NADP//HEXANOYL-COA/NADPH/PROTON.45.]]
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* [[RXN-17625]]
* [[RXN-12568-HEXANAL/CO-A/NAD//HEXANOYL-COA/NADH/PROTON.43.]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 66-25-1
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{{#set: smiles=CC(=O)C(O)O}}
* PUBCHEM:
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{{#set: inchi key=InChIKey=UOQFZGVGGMHGEE-UHFFFAOYSA-N}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6184 6184]
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{{#set: common name=1,1-dihydroxypropan-2-one}}
* CHEMSPIDER:
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{{#set: molecular weight=90.079    }}
** [http://www.chemspider.com/Chemical-Structure.5949.html 5949]
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{{#set: produced by=RXN-17625}}
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=121338 121338]
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* HMDB : HMDB05994
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{{#set: smiles=CCCCC[CH]=O}}
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{{#set: common name=1-hexanal}}
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{{#set: inchi key=InChIKey=JARKCYVAAOWBJS-UHFFFAOYSA-N}}
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{{#set: molecular weight=100.16    }}
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{{#set: common name=hexaldehyde}}
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{{#set: produced by=RXN-12568-HEXANAL/CO-A/NADP//HEXANOYL-COA/NADPH/PROTON.45.|RXN-12568-HEXANAL/CO-A/NAD//HEXANOYL-COA/NADH/PROTON.43.}}
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Revision as of 16:50, 23 May 2018

Metabolite CPD-19065

  • smiles:
    • CC(=O)C(O)O
  • inchi key:
    • InChIKey=UOQFZGVGGMHGEE-UHFFFAOYSA-N
  • common name:
    • 1,1-dihydroxypropan-2-one
  • molecular weight:
    • 90.079
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links