Difference between revisions of "CPD-13793"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-139 CPD1F-139] == * smiles: ** C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13793 CPD-13793] == * smiles: ** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-139 CPD1F-139] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13793 CPD-13793] ==
 
* smiles:
 
* smiles:
** C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))
+
** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
** InChIKey=JLJLRLWOEMWYQK-SNTJWBGVSA-M
+
** InChIKey=KYOFIJXMVNQYFC-XJZKHKOHSA-N
 
* common name:
 
* common name:
** gibberellin A1
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** 3-oxo-24-ethyl-cholest-5-ene
 
* molecular weight:
 
* molecular weight:
** 347.387    
+
** 412.698    
 
* Synonym(s):
 
* Synonym(s):
** GA1
 
** gibberellin 1
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-115]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12789]]
 
== 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=25202506 25202506]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9801811 9801811]
* CHEBI:
+
{{#set: smiles=CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27717 27717]
+
{{#set: inchi key=InChIKey=KYOFIJXMVNQYFC-XJZKHKOHSA-N}}
* LIGAND-CPD:
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{{#set: common name=3-oxo-24-ethyl-cholest-5-ene}}
** [http://www.genome.jp/dbget-bin/www_bget?C00859 C00859]
+
{{#set: molecular weight=412.698   }}
{{#set: smiles=C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))}}
+
{{#set: produced by=RXN-12789}}
{{#set: inchi key=InChIKey=JLJLRLWOEMWYQK-SNTJWBGVSA-M}}
+
{{#set: common name=gibberellin A1}}
+
{{#set: molecular weight=347.387   }}
+
{{#set: common name=GA1|gibberellin 1}}
+
{{#set: consumed by=RXN-115}}
+

Latest revision as of 20:59, 21 March 2018

Metabolite CPD-13793

  • smiles:
    • CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=KYOFIJXMVNQYFC-XJZKHKOHSA-N
  • common name:
    • 3-oxo-24-ethyl-cholest-5-ene
  • molecular weight:
    • 412.698
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.