Difference between revisions of "CPD-14766"

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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...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14766 CPD-14766] == * smiles: ** CCCCCCCCCCCCCCC(O)[CH]=O * common name: ** 2-hydroxyhexade...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PRENAL PRENAL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14766 CPD-14766] ==
 
* smiles:
 
* smiles:
** CC(=CC=O)C
+
** CCCCCCCCCCCCCCC(O)[CH]=O
* inchi key:
+
** InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
** 3-methyl-2-butenal
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** 2-hydroxyhexadecanal
 +
* inchi key:
 +
** InChIKey=BKBDVQVDRVGXKT-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 84.118    
+
** 256.428    
 
* Synonym(s):
 
* Synonym(s):
** 3-methylbut-2-enal
 
** 3,3-dimethyl-acrylaldehyde
 
** prenal
 
** 3-methylcrotonaldehyde
 
  
 
== 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 ==
* [[1.8.3.5-RXN]]
+
* [[RXN-13729]]
* [[RXN-11989]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=61020 61020]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18987871 18987871]
* HMDB : HMDB12157
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C07330 C07330]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.10820046.html 10820046]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15825 15825]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50626 50626]
* METABOLIGHTS : MTBLC15825
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{{#set: smiles=CCCCCCCCCCCCCCC(O)[CH]=O}}
{{#set: smiles=CC(=CC=O)C}}
+
{{#set: common name=2-hydroxyhexadecanal}}
{{#set: inchi key=InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=BKBDVQVDRVGXKT-UHFFFAOYSA-N}}
{{#set: common name=3-methyl-2-butenal}}
+
{{#set: molecular weight=256.428   }}
{{#set: molecular weight=84.118   }}
+
{{#set: produced by=RXN-13729}}
{{#set: common name=3-methylbut-2-enal|3,3-dimethyl-acrylaldehyde|prenal|3-methylcrotonaldehyde}}
+
{{#set: produced by=1.8.3.5-RXN|RXN-11989}}
+

Latest revision as of 21:17, 21 March 2018

Metabolite CPD-14766

  • smiles:
    • CCCCCCCCCCCCCCC(O)[CH]=O
  • common name:
    • 2-hydroxyhexadecanal
  • inchi key:
    • InChIKey=BKBDVQVDRVGXKT-UHFFFAOYSA-N
  • molecular weight:
    • 256.428
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCC(O)[CH]=O" cannot be used as a page name in this wiki.