Difference between revisions of "2-ACETO-2-HYDROXY-BUTYRATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=1.11.1.12-RXN 1.11.1.12-RXN] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ACETO-2-HYDROXY-BUTYRATE 2-ACETO-2-HYDROXY-BUTYRATE] == * smiles: ** CCC(O)(C(=O)[O-])C(C)=O...")
 
(2 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=1.11.1.12-RXN 1.11.1.12-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ACETO-2-HYDROXY-BUTYRATE 2-ACETO-2-HYDROXY-BUTYRATE] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CCC(O)(C(=O)[O-])C(C)=O
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.11.1.12 EC-1.11.1.12]
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** (S)-2-aceto-2-hydroxybutanoate
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* inchi key:
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** InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M
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* molecular weight:
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** 145.135   
 
* Synonym(s):
 
* Synonym(s):
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** (S)-2-aceto-2-hydroxy-butyrate
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** (S)-2-hydroxy-2-ethyl-3-oxobutanoate
  
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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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* [[ACETOOHBUTREDUCTOISOM-RXN]]
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** 1 [[A-LIPID-HYDROPEROXIDE]][c] '''+''' 2 [[GLUTATHIONE]][c] '''=>''' 1 [[Lipid-hydroxy-fatty-acids]][c] '''+''' 1 [[OXIDIZED-GLUTATHIONE]][c] '''+''' 1 [[WATER]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[ACETOOHBUTSYN-RXN]]
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** 1 a hydroperoxy-fatty-acyl-[lipid][c] '''+''' 2 glutathione[c] '''=>''' 1 a hydroxy-fatty-acyl-[lipid][c] '''+''' 1 glutathione disulfide[c] '''+''' 1 H2O[c]
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== Reaction(s) of unknown directionality ==
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* [[RXN-14106]]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-4081]], glutathione-peroxide redox reactions: [http://metacyc.org/META/NEW-IMAGE?object=PWY-4081 PWY-4081]
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** '''3''' reactions found over '''3''' 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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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* CAS : 3142-65-2
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** [http://www.genome.jp/dbget-bin/www_bget?R03167 R03167]
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* PUBCHEM:
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* UNIPROT:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145135 21145135]
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** [http://www.uniprot.org/uniprot/O23814 O23814]
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* HMDB : HMDB06900
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** [http://www.uniprot.org/uniprot/O48646 O48646]
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* LIGAND-CPD:
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{{#set: direction=LEFT-TO-RIGHT}}
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** [http://www.genome.jp/dbget-bin/www_bget?C06006 C06006]
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{{#set: ec number=EC-1.11.1.12}}
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* CHEMSPIDER:
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{{#set: in pathway=PWY-4081}}
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** [http://www.chemspider.com/Chemical-Structure.10607847.html 10607847]
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{{#set: reconstruction category=annotation}}
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* CHEBI:
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{{#set: reconstruction tool=pathwaytools}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49256 49256]
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{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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* BIGG : 2ahbut
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{{#set: smiles=CCC(O)(C(=O)[O-])C(C)=O}}
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{{#set: common name=(S)-2-aceto-2-hydroxybutanoate}}
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{{#set: inchi key=InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M}}
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{{#set: molecular weight=145.135    }}
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{{#set: common name=(S)-2-aceto-2-hydroxy-butyrate|(S)-2-hydroxy-2-ethyl-3-oxobutanoate}}
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{{#set: consumed by=ACETOOHBUTREDUCTOISOM-RXN}}
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{{#set: produced by=ACETOOHBUTSYN-RXN}}
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{{#set: reversible reaction associated=RXN-14106}}

Latest revision as of 19:58, 21 March 2018

Metabolite 2-ACETO-2-HYDROXY-BUTYRATE

  • smiles:
    • CCC(O)(C(=O)[O-])C(C)=O
  • common name:
    • (S)-2-aceto-2-hydroxybutanoate
  • inchi key:
    • InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M
  • molecular weight:
    • 145.135
  • Synonym(s):
    • (S)-2-aceto-2-hydroxy-butyrate
    • (S)-2-hydroxy-2-ethyl-3-oxobutanoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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




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