Difference between revisions of "CPD-108"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ALANINE-DEHYDROGENASE-RXN ALANINE-DEHYDROGENASE-RXN] == * direction: ** REVERSIBLE * common name: *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] == * smiles: ** CC1(C=CC(=CC=1)O) * inchi key: ** InChIKey=IWDCLRJOBJJRNH-UHFF...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ALANINE-DEHYDROGENASE-RXN ALANINE-DEHYDROGENASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-108 CPD-108] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC1(C=CC(=CC=1)O)
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* inchi key:
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** InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N
 
* common name:
 
* common name:
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** Alanine dehydrogenase/pyridine nucleotide transhydrogenase, NAD(H)-binding domain
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** 4-methylphenol
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/1.4.1.1 EC-1.4.1.1]
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** 108.14   
 
* Synonym(s):
 
* Synonym(s):
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** 4-hydroxytoluene
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** p-hydroxytoluene
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** 4-cresol
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** p-cresol
  
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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 [[WATER]][c] '''+''' 1 [[NAD]][c] '''+''' 1 [[L-ALPHA-ALANINE]][c] '''<=>''' 1 [[NADH]][c] '''+''' 1 [[AMMONIUM]][c] '''+''' 1 [[PYRUVATE]][c] '''+''' 1 [[PROTON]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[RXN-15588]]
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** 1 H2O[c] '''+''' 1 NAD+[c] '''+''' 1 L-alanine[c] '''<=>''' 1 NADH[c] '''+''' 1 ammonium[c] '''+''' 1 pyruvate[c] '''+''' 1 H+[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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* [[Ec-21_003330]]
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** ESILICULOSUS_GENOME
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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* [[PWY1-2]], L-alanine degradation IV: [http://metacyc.org/META/NEW-IMAGE?object=PWY1-2 PWY1-2]
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** '''1''' reactions found over '''1''' 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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*** [[esiliculosus_genome]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* CAS : 106-44-5
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=18405 18405]
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* DRUGBANK : DB01688
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R00396 R00396]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=2879 2879]
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* UNIPROT:
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* HMDB : HMDB01858
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** [http://www.uniprot.org/uniprot/P17556 P17556]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P30234 P30234]
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** [http://www.genome.jp/dbget-bin/www_bget?C01468 C01468]
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** [http://www.uniprot.org/uniprot/Q08352 Q08352]
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/P17557 P17557]
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** [http://www.chemspider.com/Chemical-Structure.13285340.html 13285340]
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** [http://www.uniprot.org/uniprot/Q9WX54 Q9WX54]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/O52942 O52942]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17847 17847]
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{{#set: direction=REVERSIBLE}}
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* METABOLIGHTS : MTBLC17847
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{{#set: common name=Alanine dehydrogenase/pyridine nucleotide transhydrogenase, NAD(H)-binding domain}}
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{{#set: smiles=CC1(C=CC(=CC=1)O)}}
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{{#set: ec number=EC-1.4.1.1}}
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{{#set: inchi key=InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N}}
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{{#set: gene associated=Ec-21_003330}}
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{{#set: common name=4-methylphenol}}
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{{#set: in pathway=PWY1-2}}
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{{#set: molecular weight=108.14    }}
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{{#set: reconstruction category=annotation}}
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{{#set: common name=4-hydroxytoluene|p-hydroxytoluene|4-cresol|p-cresol}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reversible reaction associated=RXN-15588}}
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{{#set: reconstruction source=esiliculosus_genome}}
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Latest revision as of 20:49, 21 March 2018

Metabolite CPD-108

  • smiles:
    • CC1(C=CC(=CC=1)O)
  • inchi key:
    • InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N
  • common name:
    • 4-methylphenol
  • molecular weight:
    • 108.14
  • Synonym(s):
    • 4-hydroxytoluene
    • p-hydroxytoluene
    • 4-cresol
    • p-cresol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 106-44-5
  • DRUGBANK : DB01688
  • PUBCHEM:
  • HMDB : HMDB01858
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17847




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