Difference between revisions of "DIACETYL"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-474 CPD-474] == * smiles: ** C1(C=C(O)C(O)=CC=1C2(OC3(C=C([O-])C=C(O)C(C(=O)C(O)2)=3))) * i...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIACETYL DIACETYL] == * smiles: ** CC(C(C)=O)=O * common name: ** diacetyl * inchi key: ** InCh...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-474 CPD-474] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIACETYL DIACETYL] ==
 
* smiles:
 
* smiles:
** C1(C=C(O)C(O)=CC=1C2(OC3(C=C([O-])C=C(O)C(C(=O)C(O)2)=3)))
+
** CC(C(C)=O)=O
* inchi key:
+
** InChIKey=CXQWRCVTCMQVQX-LSDHHAIUSA-M
+
 
* common name:
 
* common name:
** (+)-taxifolin
+
** diacetyl
 +
* inchi key:
 +
** InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 303.248    
+
** 86.09    
 
* Synonym(s):
 
* Synonym(s):
** trans dihydroquercetin
+
** 2,3-butanedione
** (+)-dihydroquercetin
+
** biacetyl
** taxifolin
+
** dimethylglyoxal
 +
** 2,3-diketobutane
 +
** 2,3-dioxobutane
 +
** butadione
 +
** dimethyl diketone
 +
** butanedione
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-527]]
 
* [[RXN-600]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7775]]
+
* [[RXN-6081]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 480-18-2
+
* CAS : 431-03-8
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244891 25244891]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=650 650]
* CHEBI:
+
* HMDB : HMDB03407
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58329 58329]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01617 C01617]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00741 C00741]
{{#set: smiles=C1(C=C(O)C(O)=CC=1C2(OC3(C=C([O-])C=C(O)C(C(=O)C(O)2)=3)))}}
+
* CHEMSPIDER:
{{#set: inchi key=InChIKey=CXQWRCVTCMQVQX-LSDHHAIUSA-M}}
+
** [http://www.chemspider.com/Chemical-Structure.630.html 630]
{{#set: common name=(+)-taxifolin}}
+
* CHEBI:
{{#set: molecular weight=303.248   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16583 16583]
{{#set: common name=trans dihydroquercetin|(+)-dihydroquercetin|taxifolin}}
+
{{#set: smiles=CC(C(C)=O)=O}}
{{#set: consumed by=RXN-527|RXN-600}}
+
{{#set: common name=diacetyl}}
{{#set: produced by=RXN-7775}}
+
{{#set: inchi key=InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N}}
 +
{{#set: molecular weight=86.09   }}
 +
{{#set: common name=2,3-butanedione|biacetyl|dimethylglyoxal|2,3-diketobutane|2,3-dioxobutane|butadione|dimethyl diketone|butanedione}}
 +
{{#set: produced by=RXN-6081}}

Latest revision as of 20:46, 21 March 2018

Metabolite DIACETYL

  • smiles:
    • CC(C(C)=O)=O
  • common name:
    • diacetyl
  • inchi key:
    • InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N
  • molecular weight:
    • 86.09
  • Synonym(s):
    • 2,3-butanedione
    • biacetyl
    • dimethylglyoxal
    • 2,3-diketobutane
    • 2,3-dioxobutane
    • butadione
    • dimethyl diketone
    • butanedione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 431-03-8
  • PUBCHEM:
  • HMDB : HMDB03407
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI: