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

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=R-2-HYDROXYSTEARATE R-2-HYDROXYSTEARATE] == * smiles: ** CCCCCCCCCCCCCCCCC(O)C(=O)[O-] * common...")
 
(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...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=R-2-HYDROXYSTEARATE R-2-HYDROXYSTEARATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-BETA-HYDROXYANDROST-5-EN-17-ONE 3-BETA-HYDROXYANDROST-5-EN-17-ONE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCC(O)C(=O)[O-]
+
** CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)
 
* common name:
 
* common name:
−
** (R)-2-hydroxystearate
+
** 3-β-hydroxyandrost-5-en-17-one
 
* inchi key:
 
* inchi key:
−
** InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M
+
** InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N
 
* molecular weight:
 
* molecular weight:
−
** 299.473    
+
** 288.429    
 
* Synonym(s):
 
* Synonym(s):
 +
** dehydroepiandrosterone
 +
** dehydroisoandrosterone
 +
** DHA
 +
** DHEA
 +
** androst-5-en-17-one, 3-hydroxy-, (3β)-
 +
** androstenolone
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.]]
+
* [[RXN66-342]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
 
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMST02020021
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145040 21145040]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5881 5881]
−
* CAS : 629-22-1
+
* CAS : 53-43-0
 +
* DRUGBANK : DB01708
 
* NCI:
 
* NCI:
−
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=907 907]
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9896 9896]
 +
* HMDB : HMDB00077
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03042 C03042]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01227 C01227]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.13600149.html 13600149]
+
** [http://www.chemspider.com/Chemical-Structure.5670.html 5670]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57562 57562]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28689 28689]
−
{{#set: smiles=CCCCCCCCCCCCCCCCC(O)C(=O)[O-]}}
+
* METABOLIGHTS : MTBLC28689
−
{{#set: common name=(R)-2-hydroxystearate}}
+
{{#set: smiles=CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)}}
−
{{#set: inchi key=InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M}}
+
{{#set: common name=3-β-hydroxyandrost-5-en-17-one}}
−
{{#set: molecular weight=299.473   }}
+
{{#set: inchi key=InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N}}
−
{{#set: consumed by=RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.}}
+
{{#set: molecular weight=288.429   }}
−
{{#set: produced by=RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.}}
+
{{#set: common name=dehydroepiandrosterone|dehydroisoandrosterone|DHA|DHEA|androst-5-en-17-one, 3-hydroxy-, (3β)-|androstenolone}}
−
{{#set: consumed or produced by=ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}
+
{{#set: consumed by=RXN66-342}}

Latest revision as of 20:55, 21 March 2018

Metabolite 3-BETA-HYDROXYANDROST-5-EN-17-ONE

  • smiles:
    • CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)
  • common name:
    • 3-β-hydroxyandrost-5-en-17-one
  • inchi key:
    • InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N
  • molecular weight:
    • 288.429
  • Synonym(s):
    • dehydroepiandrosterone
    • dehydroisoandrosterone
    • DHA
    • DHEA
    • androst-5-en-17-one, 3-hydroxy-, (3β)-
    • androstenolone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMST02020021
  • PUBCHEM:
  • CAS : 53-43-0
  • DRUGBANK : DB01708
  • NCI:
  • HMDB : HMDB00077
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC28689
"CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=3-BETA-HYDROXYANDROST-5-EN-17-ONE&oldid=44608"