Difference between revisions of "CPD-18077"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPOYL-COA SINAPOYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=C(...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPOYL-COA SINAPOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-BETA-HYDROXYANDROST-5-EN-17-ONE 3-BETA-HYDROXYANDROST-5-EN-17-ONE] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=C(OC)C=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)
 
* inchi key:
 
* inchi key:
−
** InChIKey=RBFUWESMWRUGFY-GSNIOFLCSA-J
+
** InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N
 
* common name:
 
* common name:
−
** sinapoyl-CoA
+
** 3-β-hydroxyandrost-5-en-17-one
 
* molecular weight:
 
* molecular weight:
−
** 969.7    
+
** 288.429    
 
* Synonym(s):
 
* Synonym(s):
−
** sinapinoyl-CoA
+
** 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 ==
 +
* [[RXN66-342]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-10919]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-1124]]
 
 
== External links  ==
 
== External links  ==
 +
* DRUGBANK : DB01708
 +
* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=9896 9896]
 +
* CAS : 53-43-0
 +
* LIPID_MAPS : LMST02020021
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44229225 44229225]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5881 5881]
−
* CHEBI:
+
* HMDB : HMDB00077
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57393 57393]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00411 C00411]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01227 C01227]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=C(OC)C=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=RBFUWESMWRUGFY-GSNIOFLCSA-J}}
+
** [http://www.chemspider.com/Chemical-Structure.5670.html 5670]
−
{{#set: common name=sinapoyl-CoA}}
+
* CHEBI:
−
{{#set: molecular weight=969.7   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28689 28689]
−
{{#set: common name=sinapinoyl-CoA}}
+
* METABOLIGHTS : MTBLC28689
−
{{#set: produced by=RXN-10919}}
+
{{#set: smiles=CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)}}
−
{{#set: consumed or produced by=RXN-1124}}
+
{{#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 11:30, 18 January 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)
  • inchi key:
    • InChIKey=FMGSKLZLMKYGDP-USOAJAOKSA-N
  • common name:
    • 3-β-hydroxyandrost-5-en-17-one
  • 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

  • DRUGBANK : DB01708
  • NCI:
  • CAS : 53-43-0
  • LIPID_MAPS : LMST02020021
  • PUBCHEM:
  • 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.



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