Difference between revisions of "CPD-7061"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ACETATE--COA-LIGASE-RXN ACETATE--COA-LIGASE-RXN] == * direction: ** LEFT-TO-RIGHT * common name: **...")
 
(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...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ACETATE--COA-LIGASE-RXN ACETATE--COA-LIGASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PREGNENOLONE PREGNENOLONE] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
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* inchi key:
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** InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N
 
* common name:
 
* common name:
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** acetyl-CoA synthetase
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** pregnenolone
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/6.2.1.1 EC-6.2.1.1]
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** 316.483   
 
* Synonym(s):
 
* Synonym(s):
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** 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
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** 5-pregnen-3-β-ol-20-one
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** 3-β-hydroxypregn-5-en-20-one
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** 3beta-hydroxypregn-5-en-20-one
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[RXN66-353]]
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** 1 [[ATP]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[ACET]][c] '''=>''' 1 [[ACETYL-COA]][c] '''+''' 1 [[AMP]][c] '''+''' 1 [[PPI]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 ATP[c] '''+''' 1 coenzyme A[c] '''+''' 1 acetate[c] '''=>''' 1 acetyl-CoA[c] '''+''' 1 AMP[c] '''+''' 1 diphosphate[c]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[CHC_T00008320001_1]]
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** [[pantograph]]-[[galdieria.sulphuraria]]
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* [[CHC_T00008320001]]
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** ORIGINAL_GENOME
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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* [[PWY66-161]], ethanol degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-161 PWY66-161]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-21]], ethanol degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-21 PWY66-21]
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** '''3''' reactions found over '''3''' reactions in the full pathway
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* [[PWY66-162]], ethanol degradation IV: [http://metacyc.org/META/NEW-IMAGE?object=PWY66-162 PWY66-162]
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** '''3''' reactions found over '''3''' reactions in the full pathway
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* [[PWY0-1313]], acetate conversion to acetyl-CoA: [http://metacyc.org/META/NEW-IMAGE?object=PWY0-1313 PWY0-1313]
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** '''1''' reactions found over '''1''' reactions in the full pathway
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* [[PWY-6672]], cis-genanyl-CoA degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6672 PWY-6672]
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** '''2''' reactions found over '''9''' reactions in the full pathway
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* [[PWY-7118]], chitin degradation to ethanol: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7118 PWY-7118]
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** '''4''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[galdieria.sulphuraria]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[original_genome]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* DRUGBANK : DB02789
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=23176 23176]
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* CAS : 145-13-1
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* LIGAND-RXN:
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* Wikipedia : Pregnenolone
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** [http://www.genome.jp/dbget-bin/www_bget?R00235 R00235]
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* LIPID_MAPS : LMST02030088
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* UNIPROT:
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* PUBCHEM:
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** [http://www.uniprot.org/uniprot/P27095 P27095]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8955 8955]
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** [http://www.uniprot.org/uniprot/P31638 P31638]
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* HMDB : HMDB00253
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** [http://www.uniprot.org/uniprot/Q12662 Q12662]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P28812 P28812]
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** [http://www.genome.jp/dbget-bin/www_bget?C01953 C01953]
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** [http://www.uniprot.org/uniprot/P27550 P27550]
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/O34613 O34613]
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** [http://www.chemspider.com/Chemical-Structure.8611.html 8611]
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** [http://www.uniprot.org/uniprot/Q9PMD2 Q9PMD2]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/P36333 P36333]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16581 16581]
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** [http://www.uniprot.org/uniprot/Q01574 Q01574]
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* METABOLIGHTS : MTBLC16581
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** [http://www.uniprot.org/uniprot/P39062 P39062]
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{{#set: smiles=CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
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** [http://www.uniprot.org/uniprot/Q01576 Q01576]
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{{#set: inchi key=InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N}}
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** [http://www.uniprot.org/uniprot/P52910 P52910]
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{{#set: common name=pregnenolone}}
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** [http://www.uniprot.org/uniprot/Q55404 Q55404]
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{{#set: molecular weight=316.483    }}
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** [http://www.uniprot.org/uniprot/P16928 P16928]
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{{#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}}
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** [http://www.uniprot.org/uniprot/P16929 P16929]
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{{#set: consumed by=RXN66-353}}
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** [http://www.uniprot.org/uniprot/O68040 O68040]
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** [http://www.uniprot.org/uniprot/P78773 P78773]
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{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: common name=acetyl-CoA synthetase}}
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{{#set: ec number=EC-6.2.1.1}}
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{{#set: gene associated=CHC_T00008320001_1|CHC_T00008320001}}
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{{#set: in pathway=PWY66-161|PWY66-21|PWY66-162|PWY0-1313|PWY-6672|PWY-7118}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=galdieria.sulphuraria}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reconstruction source=original_genome}}
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Revision as of 11:56, 18 January 2018

Metabolite PREGNENOLONE

  • smiles:
    • CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=ORNBQBCIOKFOEO-QGVNFLHTSA-N
  • common name:
    • pregnenolone
  • 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

  • DRUGBANK : DB02789
  • CAS : 145-13-1
  • Wikipedia : Pregnenolone
  • LIPID_MAPS : LMST02030088
  • 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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