Difference between revisions of "CPD-698"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-KETO-2-METHYLVALERATE 1-KETO-2-METHYLVALERATE] == * smiles: ** CCC(O)(C)C(C([O-])=O)O * commo...")
(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...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=1-KETO-2-METHYLVALERATE 1-KETO-2-METHYLVALERATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-698 CPD-698] ==
 
* smiles:
 
* smiles:
−
** CCC(O)(C)C(C([O-])=O)O
+
** 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:
 
* common name:
−
** (R)-2,3-dihydroxy-3-methylpentanoate
+
** campest-4-en-3-one
 
* inchi key:
 
* inchi key:
−
** InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M
+
** InChIKey=QQIOPZFVTIHASB-IMUDCKKOSA-N
 
* molecular weight:
 
* molecular weight:
−
** 147.15    
+
** 398.671    
 
* Synonym(s):
 
* Synonym(s):
−
** (R)-2,3-dihydroxy-3-methylvalerate
+
** 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 ==
−
* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
+
* [[RXN-711]]
−
* [[DHAD]]
+
* [[RXN-4231]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 
−
* [[R05068]]
 
 
== 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=21145376 21145376]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11988279 11988279]
−
* HMDB : HMDB12140
+
* HMDB : HMDB12196
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06007 C06007]
+
** [http://www.genome.jp/dbget-bin/www_bget?C15785 C15785]
−
* CHEMSPIDER:
+
{{#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.13641636.html 13641636]
+
{{#set: common name=campest-4-en-3-one}}
−
* CHEBI:
+
{{#set: inchi key=InChIKey=QQIOPZFVTIHASB-IMUDCKKOSA-N}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49258 49258]
+
{{#set: molecular weight=398.671   }}
−
* BIGG : 23dhmp
+
{{#set: common name=methylcholestenone|(24R)-24-methyl-cholest-4-en-3-one|3-dehydro-Δ4-5-campesterol}}
−
{{#set: smiles=CCC(O)(C)C(C([O-])=O)O}}
+
{{#set: consumed by=RXN-711|RXN-4231}}
−
{{#set: common name=(R)-2,3-dihydroxy-3-methylpentanoate}}
+
−
{{#set: inchi key=InChIKey=PDGXJDXVGMHUIR-UJURSFKZSA-M}}
+
−
{{#set: molecular weight=147.15   }}
+
−
{{#set: common name=(R)-2,3-dihydroxy-3-methylvalerate}}
+
−
{{#set: consumed by=DIHYDROXYMETVALDEHYDRAT-RXN|DHAD}}
+
−
{{#set: produced by=ACETOOHBUTREDUCTOISOM-RXN|R05068}}
+

Latest revision as of 20:15, 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.



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