Difference between revisions of "PREGNENOLONE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7417 CPD-7417] == * smiles: ** C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O * inchi ke...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PREGNENOLONE PREGNENOLONE] == * smiles: ** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC...")
 
(4 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7417 CPD-7417] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PREGNENOLONE PREGNENOLONE] ==
 
* smiles:
 
* smiles:
−
** C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O
+
** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
−
* inchi key:
+
−
** InChIKey=GVRIYIMNJGULCZ-QLFWQTQQSA-M
+
 
* common name:
 
* common name:
−
** cis-coumarinic acid-β-D-glucoside
+
** pregnenolone
 +
* inchi key:
 +
** InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N
 
* molecular weight:
 
* molecular weight:
−
** 325.294    
+
** 316.483    
 
* Synonym(s):
 
* Synonym(s):
−
** coumarinic acid glucoside
+
** 1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone
−
** coumarinate glucoside
+
** 5-pregnen-3-β-ol-20-one
 +
** 3-β-hydroxypregn-5-en-20-one
 +
** 3beta-hydroxypregn-5-en-20-one
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-8036]]
+
* [[RXN66-353]]
 
== 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  ==
 +
* LIPID_MAPS : LMST02030088
 +
* CAS : 145-13-1
 +
* Wikipedia : Pregnenolone
 +
* DRUGBANK : DB02789
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8955 8955]
 +
* HMDB : HMDB00253
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05839 C05839]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01953 C01953]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.8611.html 8611]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62223 62223]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16581 16581]
−
* PUBCHEM:
+
* METABOLIGHTS : MTBLC16581
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25796113 25796113]
+
{{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
−
* HMDB : HMDB60077
+
{{#set: common name=pregnenolone}}
−
{{#set: smiles=C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O}}
+
{{#set: inchi key=InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N}}
−
{{#set: inchi key=InChIKey=GVRIYIMNJGULCZ-QLFWQTQQSA-M}}
+
{{#set: molecular weight=316.483   }}
−
{{#set: common name=cis-coumarinic acid-β-D-glucoside}}
+
{{#set: common name=1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone|5-pregnen-3-β-ol-20-one|3-β-hydroxypregn-5-en-20-one|3beta-hydroxypregn-5-en-20-one}}
−
{{#set: molecular weight=325.294   }}
+
{{#set: consumed by=RXN66-353}}
−
{{#set: common name=coumarinic acid glucoside|coumarinate glucoside}}
+
−
{{#set: consumed by=RXN-8036}}
+

Latest revision as of 19:20, 21 March 2018

Metabolite PREGNENOLONE

  • smiles:
    • CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • pregnenolone
  • inchi key:
    • InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N
  • molecular weight:
    • 316.483
  • Synonym(s):
    • 1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone
    • 5-pregnen-3-β-ol-20-one
    • 3-β-hydroxypregn-5-en-20-one
    • 3beta-hydroxypregn-5-en-20-one

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMST02030088
  • CAS : 145-13-1
  • Wikipedia : Pregnenolone
  • DRUGBANK : DB02789
  • PUBCHEM:
  • HMDB : HMDB00253
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16581
"CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.


"1-[(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16, 17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)]ethanone" cannot be used as a page name in this wiki.
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