Difference between revisions of "3-BETA-HYDROXYANDROST-5-EN-17-ONE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-BETA-HYDROXYANDROST-5-EN-17-ONE 3-BETA-HYDROXYANDROST-5-EN-17-ONE] == * smiles: ** CC24(CCC(O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-BETA-HYDROXYANDROST-5-EN-17-ONE 3-BETA-HYDROXYANDROST-5-EN-17-ONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4702 CPD-4702] ==
 
* smiles:
 
* smiles:
−
** CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)
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** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))
−
* inchi key:
+
−
** InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N
+
 
* common name:
 
* common name:
−
** 3-β-hydroxyandrost-5-en-17-one
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** 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
 +
* inchi key:
 +
** InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M
 
* molecular weight:
 
* molecular weight:
−
** 288.429    
+
** 427.646    
 
* Synonym(s):
 
* Synonym(s):
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** dehydroepiandrosterone
 
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** dehydroisoandrosterone
 
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** DHA
 
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** DHEA
 
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** androst-5-en-17-one, 3-hydroxy-, (3β)-
 
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** androstenolone
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-342]]
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* [[RXN66-318]]
 
== 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  ==
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* DRUGBANK : DB01708
 
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* NCI:
 
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9896 9896]
 
−
* CAS : 53-43-0
 
−
* LIPID_MAPS : LMST02020021
 
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5881 5881]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659076 90659076]
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* HMDB : HMDB00077
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{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))}}
−
* LIGAND-CPD:
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{{#set: common name=4α-carboxy-5α-cholesta-8,24-dien-3β-ol}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01227 C01227]
+
{{#set: inchi key=InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M}}
−
* CHEMSPIDER:
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{{#set: molecular weight=427.646    }}
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** [http://www.chemspider.com/Chemical-Structure.5670.html 5670]
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{{#set: consumed by=RXN66-318}}
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* CHEBI:
+
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28689 28689]
+
−
* METABOLIGHTS : MTBLC28689
+
−
{{#set: smiles=CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)}}
+
−
{{#set: inchi key=InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N}}
+
−
{{#set: common name=3-β-hydroxyandrost-5-en-17-one}}
+
−
{{#set: molecular weight=288.429    }}
+
−
{{#set: common name=dehydroepiandrosterone|dehydroisoandrosterone|DHA|DHEA|androst-5-en-17-one, 3-hydroxy-, (3β)-|androstenolone}}
+
−
{{#set: consumed by=RXN66-342}}
+

Revision as of 16:36, 21 March 2018

Metabolite CPD-4702

  • smiles:
    • CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))
  • common name:
    • 4α-carboxy-5α-cholesta-8,24-dien-3β-ol
  • inchi key:
    • InChIKey=JHIWIFRQJXLNEU-GSQAGGHASA-M
  • molecular weight:
    • 427.646
  • 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(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.



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