Difference between revisions of "CPD-7000"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11570 RXN-11570] == * direction: ** LEFT-TO-RIGHT * common name: ** n-acetylglucosamine-6-sulfa...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7000 CPD-7000] == * smiles: ** CC(C)[CH]=O * common name: ** isobutanal * inchi key: ** InC...")
 
(3 intermediate revisions 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-11570 RXN-11570] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7000 CPD-7000] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(C)[CH]=O
 
* common name:
 
* common name:
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** n-acetylglucosamine-6-sulfatase
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** isobutanal
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/3.1.6.14 EC-3.1.6.14]
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** InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N
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* molecular weight:
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** 72.107   
 
* Synonym(s):
 
* Synonym(s):
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** isobutyraldehyde
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** isobutylaldehyde
  
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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 [[Keratan-sulfate-NAcGlcN6S]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[PROTON]][c] '''+''' 1 [[Keratan-sulfate-NAcGlc]][c] '''+''' 1 [[SULFATE]][c]
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== Reaction(s) of unknown directionality ==
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* With common name(s):
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* [[RXN-13671]]
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** 1 [keratan sulfate]-α-N-acetyl-D-glucosamine 6-O-sulfate[c] '''+''' 1 H2O[c] '''=>''' 1 H+[c] '''+''' 1 [keratan sulfate]-α-N-acetyl-D-glucosamine[c] '''+''' 1 sulfate[c]
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* [[RXN-7657]]
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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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* [[Tiso_gene_18170]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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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=n-acetylglucosamine-6-sulfatase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6561 6561]
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{{#set: ec number=EC-3.1.6.14}}
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* CHEMSPIDER:
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{{#set: gene associated=Tiso_gene_18170}}
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** [http://www.chemspider.com/Chemical-Structure.6313.html 6313]
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{{#set: in pathway=}}
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* CHEBI:
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{{#set: reconstruction category=annotation}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48943 48943]
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{{#set: reconstruction tool=pathwaytools}}
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* HMDB : HMDB31243
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{{#set: reconstruction source=in-silico_annotation}}
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{{#set: smiles=CC(C)[CH]=O}}
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{{#set: common name=isobutanal}}
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{{#set: inchi key=InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N}}
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{{#set: molecular weight=72.107    }}
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{{#set: common name=isobutyraldehyde|isobutylaldehyde}}
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{{#set: reversible reaction associated=RXN-13671|RXN-7657}}

Latest revision as of 19:54, 21 March 2018

Metabolite CPD-7000

  • smiles:
    • CC(C)[CH]=O
  • common name:
    • isobutanal
  • inchi key:
    • InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N
  • molecular weight:
    • 72.107
  • Synonym(s):
    • isobutyraldehyde
    • isobutylaldehyde

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)[CH]=O" cannot be used as a page name in this wiki.



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