Difference between revisions of "CPD-4184"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-28 CPD66-28] == * smiles: ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))...")
 
 
(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=CPD66-28 CPD66-28] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4184 CPD-4184] ==
 
* smiles:
 
* smiles:
** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
+
** CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C
 +
* molecular weight:
 +
** 400.687   
 
* inchi key:
 
* inchi key:
** InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N
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** InChIKey=SCEZIHJVTBQOLS-YIJYGBTNSA-N
 
* common name:
 
* common name:
** pregn-5-ene-3,20-dione
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** 4α-methyl-cholesta-8-enol
* molecular weight:
+
** 314.467   
+
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN66-20]]
 +
* [[RXN-13710]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-353]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=150901 150901]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.546029.html 546029]
 
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63837 63837]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28432 28432]
{{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
+
* PUBCHEM:
{{#set: inchi key=InChIKey=MNRHZPCIEGLWGK-LEKSSAKUSA-N}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6452640 6452640]
{{#set: common name=pregn-5-ene-3,20-dione}}
+
* LIGAND-CPD:
{{#set: molecular weight=314.467    }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05110 C05110]
{{#set: produced by=RXN66-353}}
+
{{#set: smiles=CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C}}
 +
{{#set: molecular weight=400.687    }}
 +
{{#set: inchi key=InChIKey=SCEZIHJVTBQOLS-YIJYGBTNSA-N}}
 +
{{#set: common name=4α-methyl-cholesta-8-enol}}
 +
{{#set: consumed by=RXN66-20|RXN-13710}}

Latest revision as of 17:52, 9 January 2019

Metabolite CPD-4184

  • smiles:
    • CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C
  • molecular weight:
    • 400.687
  • inchi key:
    • InChIKey=SCEZIHJVTBQOLS-YIJYGBTNSA-N
  • common name:
    • 4α-methyl-cholesta-8-enol
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C" cannot be used as a page name in this wiki.