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=SCOPOLETIN SCOPOLETIN] == * smiles: ** COC2(C=C1(C(OC(=O)C=C1)=CC=2O)) * inchi key: ** InChIKey...")
 
(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...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLETIN SCOPOLETIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-ACETO-2-HYDROXY-BUTYRATE 2-ACETO-2-HYDROXY-BUTYRATE] ==
 
* smiles:
 
* smiles:
−
** COC2(C=C1(C(OC(=O)C=C1)=CC=2O))
+
** CCC(O)(C(=O)[O-])C(C)=O
−
* inchi key:
+
−
** InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
+
 
* common name:
 
* common name:
−
** scopoletin
+
** (S)-2-aceto-2-hydroxybutanoate
 +
* inchi key:
 +
** InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M
 
* molecular weight:
 
* molecular weight:
−
** 192.171    
+
** 145.135    
 
* Synonym(s):
 
* 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 consume the compound ==
 +
* [[ACETOOHBUTREDUCTOISOM-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-14179]]
+
* [[ACETOOHBUTSYN-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-14106]]
 
== External links  ==
 
== External links  ==
−
* NCI:
+
* CAS : 3142-65-2
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=405647 405647]
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280460 5280460]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145135 21145135]
−
* HMDB : HMDB34344
+
* HMDB : HMDB06900
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01752 C01752]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06006 C06006]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4444113.html 4444113]
+
** [http://www.chemspider.com/Chemical-Structure.10607847.html 10607847]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17488 17488]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=49256 49256]
−
* METABOLIGHTS : MTBLC17488
+
* BIGG : 2ahbut
−
{{#set: smiles=COC2(C=C1(C(OC(=O)C=C1)=CC=2O))}}
+
{{#set: smiles=CCC(O)(C(=O)[O-])C(C)=O}}
−
{{#set: inchi key=InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N}}
+
{{#set: common name=(S)-2-aceto-2-hydroxybutanoate}}
−
{{#set: common name=scopoletin}}
+
{{#set: inchi key=InChIKey=VUQLHQFKACOHNZ-LURJTMIESA-M}}
−
{{#set: molecular weight=192.171    }}
+
{{#set: molecular weight=145.135    }}
−
{{#set: produced by=RXN-14179}}
+
{{#set: common name=(S)-2-aceto-2-hydroxy-butyrate|(S)-2-hydroxy-2-ethyl-3-oxobutanoate}}
 +
{{#set: consumed by=ACETOOHBUTREDUCTOISOM-RXN}}
 +
{{#set: produced by=ACETOOHBUTSYN-RXN}}
 +
{{#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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