Difference between revisions of "CPD-182"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=R147-RXN R147-RXN] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/1....")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-182 CPD-182] == * smiles: ** CC1(=CC(OC2(C=C(O)C=CC1=2))=O) * inchi key: ** InChIKey=HSHNIT...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=R147-RXN R147-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-182 CPD-182] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC1(=CC(OC2(C=C(O)C=CC1=2))=O)
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.13.11.54 EC-1.13.11.54]
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** InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N
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* common name:
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** 4-methylumbelliferone
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* molecular weight:
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** 176.171   
 
* Synonym(s):
 
* Synonym(s):
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** Hymecromone
  
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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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== Reaction(s) known to produce the compound ==
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** 1 [[OXYGEN-MOLECULE]][c] '''+''' 1 [[CPD-85]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[FORMATE]][c] '''+''' 1 [[CPD-479]][c]
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* [[RXN-10769]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 oxygen[c] '''+''' 1 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one[c] '''=>''' 1 H+[c] '''+''' 1 formate[c] '''+''' 1 4-(methylthio)-2-oxobutanoate[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-4361]], S-methyl-5-thio-α-D-ribose 1-phosphate degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-4361 PWY-4361]
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** '''3''' reactions found over '''7''' reactions in the full pathway
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== Reconstruction information  ==
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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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* CAS : 90-33-5
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=24504 24504]
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* DRUGBANK : DB07118
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R07364 R07364]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280567 5280567]
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{{#set: direction=LEFT-TO-RIGHT}}
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* HMDB : HMDB59622
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{{#set: ec number=EC-1.13.11.54}}
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* LIGAND-CPD:
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{{#set: in pathway=PWY-4361}}
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** [http://www.genome.jp/dbget-bin/www_bget?C03081 C03081]
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{{#set: reconstruction category=annotation}}
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* CHEMSPIDER:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://www.chemspider.com/Chemical-Structure.4444190.html 4444190]
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{{#set: reconstruction source=original_genome}}
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17224 17224]
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* METABOLIGHTS : MTBLC17224
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{{#set: smiles=CC1(=CC(OC2(C=C(O)C=CC1=2))=O)}}
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{{#set: inchi key=InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N}}
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{{#set: common name=4-methylumbelliferone}}
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{{#set: molecular weight=176.171    }}
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{{#set: common name=Hymecromone}}
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{{#set: produced by=RXN-10769}}

Revision as of 17:00, 23 May 2018

Metabolite CPD-182

  • smiles:
    • CC1(=CC(OC2(C=C(O)C=CC1=2))=O)
  • inchi key:
    • InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N
  • common name:
    • 4-methylumbelliferone
  • molecular weight:
    • 176.171
  • Synonym(s):
    • Hymecromone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 90-33-5
  • DRUGBANK : DB07118
  • PUBCHEM:
  • HMDB : HMDB59622
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17224




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