Difference between revisions of "CPD-14808"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETONE ACETONE] == * smiles: ** CC(=O)C * inchi key: ** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14808 CPD-14808] == * smiles: ** C1(C(C(C(C(C1O)O)=O)O)O)O * inchi key: ** InChIKey=VYEGBDH...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETONE ACETONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14808 CPD-14808] ==
 
* smiles:
 
* smiles:
** CC(=O)C
+
** C1(C(C(C(C(C1O)O)=O)O)O)O
 
* inchi key:
 
* inchi key:
** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
+
** InChIKey=VYEGBDHSGHXOGT-HYFGLKJPSA-N
 
* common name:
 
* common name:
** acetone
+
** scyllo-inosose
 
* molecular weight:
 
* molecular weight:
** 58.08    
+
** 178.141    
 
* Synonym(s):
 
* Synonym(s):
** dimethylketone
+
** 2-keto-myo-inositol
** 2-propanone
+
** 2,4,6/3,5-pentahydroxycyclohexanone
** propanone
+
** 2-inosose
 +
** 2-keto-scyllo-inositol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-8630]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[MYO-INOSITOL-2-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
* CAS : 67-64-1
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=180 180]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439294 439294]
* HMDB : HMDB01659
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C00207 C00207]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.175.html 175]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15347 15347]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17811 17811]
* METABOLIGHTS : MTBLC15347
+
{{#set: smiles=C1(C(C(C(C(C1O)O)=O)O)O)O}}
{{#set: smiles=CC(=O)C}}
+
{{#set: inchi key=InChIKey=VYEGBDHSGHXOGT-HYFGLKJPSA-N}}
{{#set: inchi key=InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N}}
+
{{#set: common name=scyllo-inosose}}
{{#set: common name=acetone}}
+
{{#set: molecular weight=178.141   }}
{{#set: molecular weight=58.08   }}
+
{{#set: common name=2-keto-myo-inositol|2,4,6/3,5-pentahydroxycyclohexanone|2-inosose|2-keto-scyllo-inositol}}
{{#set: common name=dimethylketone|2-propanone|propanone}}
+
{{#set: reversible reaction associated=MYO-INOSITOL-2-DEHYDROGENASE-RXN}}
{{#set: consumed by=RXN-8630}}
+

Latest revision as of 19:21, 21 March 2018

Metabolite CPD-14808

  • smiles:
    • C1(C(C(C(C(C1O)O)=O)O)O)O
  • inchi key:
    • InChIKey=VYEGBDHSGHXOGT-HYFGLKJPSA-N
  • common name:
    • scyllo-inosose
  • molecular weight:
    • 178.141
  • Synonym(s):
    • 2-keto-myo-inositol
    • 2,4,6/3,5-pentahydroxycyclohexanone
    • 2-inosose
    • 2-keto-scyllo-inositol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links