Difference between revisions of "CPD-10353"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-BUTYRYL-COA 2-METHYL-BUTYRYL-COA] == * smiles: ** CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] == * smiles: ** CC(O)C(=O)C * inchi key: ** InChIKey=ROWKJAVDOGWPAT-GSVOUG...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-METHYL-BUTYRYL-COA 2-METHYL-BUTYRYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] ==
 
* smiles:
 
* smiles:
−
** CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** CC(O)C(=O)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=LYNVNYDEQMMNMZ-XGXNYEOVSA-J
+
** InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
 
* common name:
 
* common name:
−
** 2-methylbutanoyl-CoA
+
** (R)-acetoin
 
* molecular weight:
 
* molecular weight:
−
** 847.62    
+
** 88.106    
 
* Synonym(s):
 
* Synonym(s):
−
** S-2-methyl-butyryl-CoA
+
** (R)-2-acetoin
−
** 2-methylbutyryl-CoA
+
** (R)-3-hydroxy-2-butanone
−
** α-methylbutyryl-CoA
+
** (R)-3-hydroxybutan-2-one
−
** α-methylbutanoyl-CoA
+
** (R)-dimethylketol
 +
** (3R)-3-hydroxybutan-2-one
 +
** (-)-acetoin
 +
** D-(-)-acetoin
 +
** levorotatory acetoin
 +
** (R)-acetylmethylcarbinol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[MBCOA-DHLIPOAMIDE-RXN]]
+
* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
−
* [[2KETO-3METHYLVALERATE-RXN]]
+
−
* [[2-METHYLACYL-COA-DEHYDROGENASE-RXN]]
+
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266569 45266569]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439314 439314]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.388445.html 388445]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57336 57336]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15686 15686]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01033 C01033]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00810 C00810]
−
* HMDB : HMDB01041
+
{{#set: smiles=CC(O)C(=O)C}}
−
{{#set: smiles=CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
{{#set: inchi key=InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N}}
−
{{#set: inchi key=InChIKey=LYNVNYDEQMMNMZ-XGXNYEOVSA-J}}
+
{{#set: common name=(R)-acetoin}}
−
{{#set: common name=2-methylbutanoyl-CoA}}
+
{{#set: molecular weight=88.106   }}
−
{{#set: molecular weight=847.62   }}
+
{{#set: common name=(R)-2-acetoin|(R)-3-hydroxy-2-butanone|(R)-3-hydroxybutan-2-one|(R)-dimethylketol|(3R)-3-hydroxybutan-2-one|(-)-acetoin|D-(-)-acetoin|levorotatory acetoin|(R)-acetylmethylcarbinol}}
−
{{#set: common name=S-2-methyl-butyryl-CoA|2-methylbutyryl-CoA|α-methylbutyryl-CoA|α-methylbutanoyl-CoA}}
+
{{#set: reversible reaction associated=RR-BUTANEDIOL-DEHYDROGENASE-RXN}}
−
{{#set: reversible reaction associated=MBCOA-DHLIPOAMIDE-RXN|2KETO-3METHYLVALERATE-RXN|2-METHYLACYL-COA-DEHYDROGENASE-RXN}}
+

Latest revision as of 19:04, 21 March 2018

Metabolite CPD-10353

  • smiles:
    • CC(O)C(=O)C
  • inchi key:
    • InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
  • common name:
    • (R)-acetoin
  • molecular weight:
    • 88.106
  • Synonym(s):
    • (R)-2-acetoin
    • (R)-3-hydroxy-2-butanone
    • (R)-3-hydroxybutan-2-one
    • (R)-dimethylketol
    • (3R)-3-hydroxybutan-2-one
    • (-)-acetoin
    • D-(-)-acetoin
    • levorotatory acetoin
    • (R)-acetylmethylcarbinol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-10353&oldid=24355"