Difference between revisions of "CHOLINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-5-METHOXY-TRYPTAMINE N-ACETYL-5-METHOXY-TRYPTAMINE] == * smiles: ** CC(=O)NCCC2(=CNC1(...")
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16095 RXN-16095] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
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[[Category:Metabolite]]
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[[Category:Reaction]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-ACETYL-5-METHOXY-TRYPTAMINE N-ACETYL-5-METHOXY-TRYPTAMINE] ==
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-16095 RXN-16095] ==
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* smiles:
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* direction:
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** CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))
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** LEFT-TO-RIGHT
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* inchi key:
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* ec number:
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** InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N
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** [http://enzyme.expasy.org/EC/1.1.1.330 EC-1.1.1.330]
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* common name:
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** melatonin
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* molecular weight:
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** 232.282   
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* Synonym(s):
 
* Synonym(s):
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** N-acetyl-5-methoxy-tryptamine
 
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** N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
 
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** 5-methoxy-N-acetyltryptamine
 
  
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== Reaction(s) known to consume the compound ==
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== Reaction Formula ==
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* [[RXN-11057]]
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* With identifiers:
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* [[RXN-11056]]
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** 1 [[PROTON]][c] '''+''' 1 [[NADPH]][c] '''+''' 1 [[CPD-17346]][c] '''=>''' 1 [[CPD-17347]][c] '''+''' 1 [[NADP]][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 H+[c] '''+''' 1 NADPH[c] '''+''' 1 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA[c] '''=>''' 1 (3R)-hydroxy-(11Z,14Z)-icosa-11,14-dienoyl-CoA[c] '''+''' 1 NADP+[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-7601]], arachidonate biosynthesis IV (8-detaturase, lower eukaryotes): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7601 PWY-7601]
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** '''4''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-7725]], arachidonate biosynthesis V (8-detaturase, mammals): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7725 PWY-7725]
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** '''5''' reactions found over '''6''' reactions in the full pathway
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* [[PWY-6598]], sciadonate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6598 PWY-6598]
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** '''4''' 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]]
 
== External links  ==
 
== External links  ==
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* CAS : 73-31-4
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{{#set: direction=LEFT-TO-RIGHT}}
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* DRUGBANK : DB01065
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{{#set: ec number=EC-1.1.1.330}}
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* PUBCHEM:
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{{#set: in pathway=PWY-7601|PWY-7725|PWY-6598}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=896 896]
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{{#set: reconstruction category=gap-filling}}
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* HMDB : HMDB01389
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{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
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* LIGAND-CPD:
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{{#set: reconstruction tool=meneco}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01598 C01598]
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{{#set: reconstruction comment=added for gapfilling}}
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.872.html 872]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16796 16796]
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* METABOLIGHTS : MTBLC16796
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{{#set: smiles=CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))}}
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{{#set: inchi key=InChIKey=DRLFMBDRBRZALE-UHFFFAOYSA-N}}
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{{#set: common name=melatonin}}
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{{#set: molecular weight=232.282    }}
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{{#set: common name=N-acetyl-5-methoxy-tryptamine|N-[2-(5-methoxyindol-3-yl)ethyl]acetamide|5-methoxy-N-acetyltryptamine}}
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{{#set: consumed by=RXN-11057|RXN-11056}}
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Revision as of 13:30, 21 March 2018

Reaction RXN-16095

  • direction:
    • LEFT-TO-RIGHT
  • ec number:
  • Synonym(s):

Reaction Formula

  • With identifiers:
  • With common name(s):
    • 1 H+[c] + 1 NADPH[c] + 1 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA[c] => 1 (3R)-hydroxy-(11Z,14Z)-icosa-11,14-dienoyl-CoA[c] + 1 NADP+[c]

Genes associated with this reaction

Pathways

  • PWY-7601, arachidonate biosynthesis IV (8-detaturase, lower eukaryotes): PWY-7601
    • 4 reactions found over 7 reactions in the full pathway
  • PWY-7725, arachidonate biosynthesis V (8-detaturase, mammals): PWY-7725
    • 5 reactions found over 6 reactions in the full pathway
  • PWY-6598, sciadonate biosynthesis: PWY-6598
    • 4 reactions found over 5 reactions in the full pathway

Reconstruction information

External links

Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CHOLINE&oldid=19217"