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

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(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...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CCC(O)(C(=O)[O-])C(C)=O
 
** CCC(O)(C(=O)[O-])C(C)=O
−
* common name:
 
−
** (S)-2-aceto-2-hydroxybutanoate
 
−
* inchi key:
 
−
** InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M
 
 
* molecular weight:
 
* molecular weight:
 
** 145.135     
 
** 145.135     
 +
* inchi key:
 +
** InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M
 +
* common name:
 +
** (S)-2-aceto-2-hydroxybutanoate
 
* Synonym(s):
 
* Synonym(s):
 
** (S)-2-aceto-2-hydroxy-butyrate
 
** (S)-2-aceto-2-hydroxy-butyrate
Line 16: Line 16:
 
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[ACETOOHBUTSYN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
* [[RXN-14106]]
 
* [[RXN-14106]]
 
== External links  ==
 
== External links  ==
−
* CAS : 3142-65-2
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145135 21145135]
 
−
* HMDB : HMDB06900
 
−
* LIGAND-CPD:
 
−
** [http://www.genome.jp/dbget-bin/www_bget?C06006 C06006]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.10607847.html 10607847]
 
** [http://www.chemspider.com/Chemical-Structure.10607847.html 10607847]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145135 21145135]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49256 49256]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49256 49256]
 +
* GO-TERMS : (REFMET "Acetohydroxybutyric acid" NIL midford 3701443689 NIL NIL)
 +
* CAS : 3142-65-2
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C06006 C06006]
 +
* HMDB : HMDB06900
 
* BIGG : 2ahbut
 
* BIGG : 2ahbut
 
{{#set: smiles=CCC(O)(C(=O)[O-])C(C)=O}}
 
{{#set: smiles=CCC(O)(C(=O)[O-])C(C)=O}}
−
{{#set: common name=(S)-2-aceto-2-hydroxybutanoate}}
 
−
{{#set: inchi key=InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M}}
 
 
{{#set: molecular weight=145.135    }}
 
{{#set: molecular weight=145.135    }}
 +
{{#set: inchi key=InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M}}
 +
{{#set: common name=(S)-2-aceto-2-hydroxybutanoate}}
 
{{#set: common name=(S)-2-aceto-2-hydroxy-butyrate|(S)-2-hydroxy-2-ethyl-3-oxobutanoate}}
 
{{#set: common name=(S)-2-aceto-2-hydroxy-butyrate|(S)-2-hydroxy-2-ethyl-3-oxobutanoate}}
 
{{#set: consumed by=ACETOOHBUTREDUCTOISOM-RXN}}
 
{{#set: consumed by=ACETOOHBUTREDUCTOISOM-RXN}}
−
{{#set: produced by=ACETOOHBUTSYN-RXN}}
 
 
{{#set: reversible reaction associated=RXN-14106}}
 
{{#set: reversible reaction associated=RXN-14106}}

Latest revision as of 13:34, 10 January 2019

Metabolite 2-ACETO-2-HYDROXY-BUTYRATE

  • smiles:
    • CCC(O)(C(=O)[O-])C(C)=O
  • molecular weight:
    • 145.135
  • inchi key:
    • InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M
  • common name:
    • (S)-2-aceto-2-hydroxybutanoate
  • 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

  • CHEMSPIDER:
  • PUBCHEM:
  • CHEBI:
  • GO-TERMS : (REFMET "Acetohydroxybutyric acid" NIL midford 3701443689 NIL NIL)
  • CAS : 3142-65-2
  • LIGAND-CPD:
  • HMDB : HMDB06900
  • BIGG : 2ahbut
"CCC(O)(C(=O)[O-])C(C)=O" cannot be used as a page name in this wiki.




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