Difference between revisions of "CPD-12852"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9557 RXN-9557] == * direction: ** LEFT-TO-RIGHT * common name: ** 3-hydroxy-cis-vaccenoyl-[acyl...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12852 CPD-12852] == * smiles: ** CC(C)=CCCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CC...")
 
(One intermediate revision by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9557 RXN-9557] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12852 CPD-12852] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(C)=CCCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
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* inchi key:
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** InChIKey=KLZWTHGLLDRKHD-PMIIOQGLSA-N
 
* common name:
 
* common name:
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** 3-hydroxy-cis-vaccenoyl-[acyl-carrier protein] dehydratase
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** 4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/4.2.1.59 EC-4.2.1.59]
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** 412.698   
 
* Synonym(s):
 
* Synonym(s):
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** 5α-cholesta-8,24-dien-3β-ol
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** 4α,14α-dimethylzymosterol
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** 29-norlanosterol
  
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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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* [[RXN-11881]]
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** 1 [[R-3-hydroxy-cis-vaccenoyl-ACPs]][c] '''=>''' 1 [[WATER]][c] '''+''' 1 [[cis-vaccen-2-enoyl-ACPs]][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 (R)-3-hydroxy-cis-vacc-11-enoyl-[acp][c] '''=>''' 1 H2O[c] '''+''' 1 a (2-trans-11-cis)-vaccen-2-enoyl-[acp][c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-5973]], cis-vaccenate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5973 PWY-5973]
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** '''5''' reactions found over '''5''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[gap-filling]]
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** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
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*** Tool: [[meneco]]
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**** Comment: [[added for gapfilling]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: common name=3-hydroxy-cis-vaccenoyl-[acyl-carrier protein] dehydratase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986191 50986191]
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{{#set: ec number=EC-4.2.1.59}}
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{{#set: smiles=CC(C)=CCCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))}}
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{{#set: in pathway=PWY-5973}}
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{{#set: inchi key=InChIKey=KLZWTHGLLDRKHD-PMIIOQGLSA-N}}
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{{#set: reconstruction category=gap-filling}}
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{{#set: common name=4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol}}
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{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
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{{#set: molecular weight=412.698    }}
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{{#set: reconstruction tool=meneco}}
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{{#set: common name=5α-cholesta-8,24-dien-3β-ol|4α,14α-dimethylzymosterol|29-norlanosterol}}
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{{#set: reconstruction comment=added for gapfilling}}
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{{#set: consumed by=RXN-11881}}

Latest revision as of 20:54, 21 March 2018

Metabolite CPD-12852

  • smiles:
    • CC(C)=CCCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
  • inchi key:
    • InChIKey=KLZWTHGLLDRKHD-PMIIOQGLSA-N
  • common name:
    • 4α,14α-dimethyl-5α-cholesta-8,24-dien-3β-ol
  • molecular weight:
    • 412.698
  • Synonym(s):
    • 5α-cholesta-8,24-dien-3β-ol
    • 4α,14α-dimethylzymosterol
    • 29-norlanosterol

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(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.



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