Difference between revisions of "PWY-5913"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-1124 RXN-1124] == * direction: ** REVERSIBLE * Synonym(s): == Reaction Formula == * With ident...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE_ACETALDEHYDE INDOLE_ACETALDEHYDE] == * smiles: ** C(CC1(C2(=C(NC=1)C=CC=C2)))=O * inchi...")
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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-1124 RXN-1124] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=INDOLE_ACETALDEHYDE INDOLE_ACETALDEHYDE] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** C(CC1(C2(=C(NC=1)C=CC=C2)))=O
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* inchi key:
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** InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N
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* common name:
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** indole acetaldehyde
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* molecular weight:
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** 159.187   
 
* Synonym(s):
 
* Synonym(s):
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** indole-3-acetaldehyde
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** 2-(indol-3-yl)acetaldehyde
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** (indol-3-yl)acetaldehyde
  
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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-5581]]
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** 1 [[PROTON]][c] '''+''' 1 [[SINAPOYL-COA]][c] '''+''' 1 [[NADPH]][c] '''<=>''' 1 [[NADP]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[SINAPALDEHYDE]][c]
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* [[RXN-10715]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 H+[c] '''+''' 1 sinapoyl-CoA[c] '''+''' 1 NADPH[c] '''<=>''' 1 NADP+[c] '''+''' 1 coenzyme A[c] '''+''' 1 sinapaldehyde[c]
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== Reaction(s) of unknown directionality ==
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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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* [[Ec-12_005240]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-23_001220]]
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** [[pantograph]]-[[aragem]]
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* [[Ec-12_001350]]
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** [[pantograph]]-[[aragem]]
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== Pathways  ==
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[aragem]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* CAS : 2591-98-2
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** [http://www.genome.jp/dbget-bin/www_bget?R02220 R02220]
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* PUBCHEM:
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{{#set: direction=REVERSIBLE}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=800 800]
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{{#set: gene associated=Ec-12_005240|Ec-23_001220|Ec-12_001350}}
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* HMDB : HMDB01190
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{{#set: in pathway=}}
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* LIGAND-CPD:
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{{#set: reconstruction category=orthology}}
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** [http://www.genome.jp/dbget-bin/www_bget?C00637 C00637]
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{{#set: reconstruction tool=pantograph}}
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* CHEMSPIDER:
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{{#set: reconstruction source=aragem}}
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** [http://www.chemspider.com/Chemical-Structure.778.html 778]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18086 18086]
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* METABOLIGHTS : MTBLC18086
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{{#set: smiles=C(CC1(C2(=C(NC=1)C=CC=C2)))=O}}
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{{#set: inchi key=InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N}}
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{{#set: common name=indole acetaldehyde}}
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{{#set: molecular weight=159.187    }}
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{{#set: common name=indole-3-acetaldehyde|2-(indol-3-yl)acetaldehyde|(indol-3-yl)acetaldehyde}}
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{{#set: consumed by=RXN-5581|RXN-10715}}

Revision as of 20:23, 17 March 2018

Metabolite INDOLE_ACETALDEHYDE

  • smiles:
    • C(CC1(C2(=C(NC=1)C=CC=C2)))=O
  • inchi key:
    • InChIKey=WHOOUMGHGSPMGR-UHFFFAOYSA-N
  • common name:
    • indole acetaldehyde
  • molecular weight:
    • 159.187
  • Synonym(s):
    • indole-3-acetaldehyde
    • 2-(indol-3-yl)acetaldehyde
    • (indol-3-yl)acetaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 2591-98-2
  • PUBCHEM:
  • HMDB : HMDB01190
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC18086




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