Difference between revisions of "ETHYLACETATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ALDEHYDE-REDUCTASE-RXN ALDEHYDE-REDUCTASE-RXN] == * direction: ** REVERSIBLE * common name: ** oxid...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ETHYLACETATE ETHYLACETATE] == * smiles: ** CCOC(=O)C * common name: ** ethyl acetate * inchi ke...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ALDEHYDE-REDUCTASE-RXN ALDEHYDE-REDUCTASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ETHYLACETATE ETHYLACETATE] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CCOC(=O)C
 
* common name:
 
* common name:
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** oxidoreductase
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** ethyl acetate
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** aldose_reductase
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* inchi key:
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** aldo_keto_reductase
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** InChIKey=XEKOWRVHYACXOJ-UHFFFAOYSA-N
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/1.1.1.21 EC-1.1.1.21]
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** 88.106   
 
* Synonym(s):
 
* Synonym(s):
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** ethylether
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** ether
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** ethyl
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** acetic-acid-ethylester
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** acet-eth-ester
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** acet-ethylester
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** acetic ester
  
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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 [[Sugar-alcohols]][c] '''+''' 1 [[NAD-P-OR-NOP]][c] '''<=>''' 1 [[Aldoses]][c] '''+''' 1 [[NADH-P-OR-NOP]][c] '''+''' 1 [[PROTON]][c]
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* [[RXN-12363]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 a sugar alcohol[c] '''+''' 1 NAD(P)+[c] '''<=>''' 1 an aldose[c] '''+''' 1 NAD(P)H[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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* Gene: [[Tiso_gene_7799]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: AUTOMATED-NAME-MATCH
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* Gene: [[Tiso_gene_18748]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_8988]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: EC-NUMBER
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* Gene: [[Tiso_gene_7800]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: AUTOMATED-NAME-MATCH
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* CAS : 141-78-6
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=12792 12792]
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=12788 12788]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8857 8857]
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* LIGAND-RXN:
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* HMDB : HMDB31217
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** [http://www.genome.jp/dbget-bin/www_bget?R02819 R02819]
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?R02820 R02820]
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** [http://www.genome.jp/dbget-bin/www_bget?C00849 C00849]
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* UNIPROT:
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/P15122 P15122]
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** [http://www.chemspider.com/Chemical-Structure.8525.html 8525]
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** [http://www.uniprot.org/uniprot/P16116 P16116]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/P15121 P15121]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27750 27750]
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** [http://www.uniprot.org/uniprot/P80276 P80276]
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* METABOLIGHTS : MTBLC27750
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** [http://www.uniprot.org/uniprot/P07943 P07943]
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{{#set: smiles=CCOC(=O)C}}
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** [http://www.uniprot.org/uniprot/Q8X7Z7 Q8X7Z7]
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{{#set: common name=ethyl acetate}}
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** [http://www.uniprot.org/uniprot/P45376 P45376]
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{{#set: inchi key=InChIKey=XEKOWRVHYACXOJ-UHFFFAOYSA-N}}
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** [http://www.uniprot.org/uniprot/Q39284 Q39284]
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{{#set: molecular weight=88.106    }}
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** [http://www.uniprot.org/uniprot/Q7M359 Q7M359]
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{{#set: common name=ethylether|ether|ethyl|acetic-acid-ethylester|acet-eth-ester|acet-ethylester|acetic ester}}
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** [http://www.uniprot.org/uniprot/P38115 P38115]
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{{#set: produced by=RXN-12363}}
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=oxidoreductase}}
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{{#set: common name=aldose_reductase}}
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{{#set: common name=aldo_keto_reductase}}
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{{#set: ec number=EC-1.1.1.21}}
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{{#set: gene associated=Tiso_gene_7799|Tiso_gene_18748|Tiso_gene_8988|Tiso_gene_7800}}
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{{#set: in pathway=}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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Latest revision as of 20:20, 21 March 2018

Metabolite ETHYLACETATE

  • smiles:
    • CCOC(=O)C
  • common name:
    • ethyl acetate
  • inchi key:
    • InChIKey=XEKOWRVHYACXOJ-UHFFFAOYSA-N
  • molecular weight:
    • 88.106
  • Synonym(s):
    • ethylether
    • ether
    • ethyl
    • acetic-acid-ethylester
    • acet-eth-ester
    • acet-ethylester
    • acetic ester

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 141-78-6
  • PUBCHEM:
  • HMDB : HMDB31217
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC27750




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