Difference between revisions of "CPD-698"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CYCLOHEXANONE CYCLOHEXANONE] == * smiles: ** C1(CCC(CC1)=O) * inchi key: ** InChIKey=JHIVVAPYMS...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-698 CPD-698] == * smiles: ** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC...")
 
(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=CYCLOHEXANONE CYCLOHEXANONE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-698 CPD-698] ==
 
* smiles:
 
* smiles:
** C1(CCC(CC1)=O)
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** CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
* inchi key:
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** InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N
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* common name:
 
* common name:
** cyclohexanone
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** campest-4-en-3-one
 +
* inchi key:
 +
** InChIKey=QQIOPZFVTIHASB-IMUDCKKOSA-N
 
* molecular weight:
 
* molecular weight:
** 98.144    
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** 398.671    
 
* Synonym(s):
 
* Synonym(s):
 +
** methylcholestenone
 +
** (24R)-24-methyl-cholest-4-en-3-one
 +
** 3-dehydro-Δ4-5-campesterol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[CYCLOHEXANONE-MONOOXYGENASE-RXN]]
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* [[RXN-711]]
 +
* [[RXN-4231]]
 
== 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  ==
* CAS : 108-94-1
 
* DRUGBANK : DB02060
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7967 7967]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11988279 11988279]
* HMDB : HMDB03315
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* HMDB : HMDB12196
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00414 C00414]
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** [http://www.genome.jp/dbget-bin/www_bget?C15785 C15785]
* CHEMSPIDER:
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{{#set: smiles=CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
** [http://www.chemspider.com/Chemical-Structure.7679.html 7679]
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{{#set: common name=campest-4-en-3-one}}
* CHEBI:
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{{#set: inchi key=InChIKey=QQIOPZFVTIHASB-IMUDCKKOSA-N}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17854 17854]
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{{#set: molecular weight=398.671    }}
* METABOLIGHTS : MTBLC17854
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{{#set: common name=methylcholestenone|(24R)-24-methyl-cholest-4-en-3-one|3-dehydro-Δ4-5-campesterol}}
{{#set: smiles=C1(CCC(CC1)=O)}}
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{{#set: consumed by=RXN-711|RXN-4231}}
{{#set: inchi key=InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N}}
+
{{#set: common name=cyclohexanone}}
+
{{#set: molecular weight=98.144    }}
+
{{#set: consumed by=CYCLOHEXANONE-MONOOXYGENASE-RXN}}
+

Latest revision as of 21:15, 21 March 2018

Metabolite CPD-698

  • smiles:
    • CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • campest-4-en-3-one
  • inchi key:
    • InChIKey=QQIOPZFVTIHASB-IMUDCKKOSA-N
  • molecular weight:
    • 398.671
  • Synonym(s):
    • methylcholestenone
    • (24R)-24-methyl-cholest-4-en-3-one
    • 3-dehydro-Δ4-5-campesterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.