Difference between revisions of "1.14.21.6-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DOPAQUINONE DOPAQUINONE] == * smiles: ** C([O-])(=O)C([N+])CC1(=CC(=O)C(=O)C=C1) * inchi key: *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-342 CPD-342] == * smiles: ** CC12(CCC(C[CH]1CC[CH]4([CH]2CCC3([CH](CCC(=O)3)4)C))=O) * inch...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DOPAQUINONE DOPAQUINONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-342 CPD-342] ==
 
* smiles:
 
* smiles:
−
** C([O-])(=O)C([N+])CC1(=CC(=O)C(=O)C=C1)
+
** CC12(CCC(C[CH]1CC[CH]4([CH]2CCC3([CH](CCC(=O)3)4)C))=O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=AHMIDUVKSGCHAU-LURJTMIESA-N
+
** InChIKey=RAJWOBJTTGJROA-WZNAKSSCSA-N
 
* common name:
 
* common name:
−
** dopaquinone
+
** 5α-androstane-3,17-dione
 
* molecular weight:
 
* molecular weight:
−
** 195.174    
+
** 288.429    
 
* Synonym(s):
 
* Synonym(s):
 +
** dihydroandrostenedione
 +
** androstane-3,17-dione
 +
** androstanedione
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11369]]
+
* [[RXN-12124]]
−
* [[RXN-8483]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13061]]
 
−
* [[MONOPHENOL-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 846-46-8
 +
* DRUGBANK : DB01561
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=222865 222865]
 +
* HMDB : HMDB00899
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00822 C00822]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00674 C00674]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.388422.html 388422]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57924 57924]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15994 15994]
−
* METABOLIGHTS : MTBLC57924
+
* METABOLIGHTS : MTBLC15994
−
* PUBCHEM:
+
{{#set: smiles=CC12(CCC(C[CH]1CC[CH]4([CH]2CCC3([CH](CCC(=O)3)4)C))=O)}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229226 44229226]
+
{{#set: inchi key=InChIKey=RAJWOBJTTGJROA-WZNAKSSCSA-N}}
−
* HMDB : HMDB01229
+
{{#set: common name=5α-androstane-3,17-dione}}
−
{{#set: smiles=C([O-])(=O)C([N+])CC1(=CC(=O)C(=O)C=C1)}}
+
{{#set: molecular weight=288.429   }}
−
{{#set: inchi key=InChIKey=AHMIDUVKSGCHAU-LURJTMIESA-N}}
+
{{#set: common name=dihydroandrostenedione|androstane-3,17-dione|androstanedione}}
−
{{#set: common name=dopaquinone}}
+
{{#set: consumed by=RXN-12124}}
−
{{#set: molecular weight=195.174   }}
+
−
{{#set: consumed by=RXN-11369|RXN-8483}}
+
−
{{#set: produced by=RXN-13061|MONOPHENOL-MONOOXYGENASE-RXN}}
+

Revision as of 17:14, 10 January 2018

Metabolite CPD-342

  • smiles:
    • CC12(CCC(C[CH]1CC[CH]4([CH]2CCC3([CH](CCC(=O)3)4)C))=O)
  • inchi key:
    • InChIKey=RAJWOBJTTGJROA-WZNAKSSCSA-N
  • common name:
    • 5α-androstane-3,17-dione
  • molecular weight:
    • 288.429
  • Synonym(s):
    • dihydroandrostenedione
    • androstane-3,17-dione
    • androstanedione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 846-46-8
  • DRUGBANK : DB01561
  • PUBCHEM:
  • HMDB : HMDB00899
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC15994
"CC12(CCC(C[CH]1CC[CH]4([CH]2CCC3([CH](CCC(=O)3)4)C))=O)" cannot be used as a page name in this wiki.



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