Difference between revisions of "IMIDPHOSDEHYD-RXN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7830 CPD-7830] == * smiles: ** CCCCCCCCCCCCCCCCC([O-])=O * common name: ** heptadecanoate *...")
(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=CPD-7830 CPD-7830] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCC([O-])=O
+
** CC(O)C(=O)C
−
* common name:
+
−
** heptadecanoate
+
 
* inchi key:
 
* inchi key:
−
** InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M
+
** InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
 +
* common name:
 +
** (R)-acetoin
 
* molecular weight:
 
* molecular weight:
−
** 269.446    
+
** 88.106    
 
* Synonym(s):
 
* Synonym(s):
−
** margaric acid
+
** (R)-2-acetoin
−
** margarate
+
** (R)-3-hydroxy-2-butanone
−
** heptadecanoic acid
+
** (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 consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
−
* Wikipedia : Heptadecanoic_acid
+
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439314 439314]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.3327058.html 3327058]
+
** [http://www.chemspider.com/Chemical-Structure.388445.html 388445]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32366 32366]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15686 15686]
−
* METABOLIGHTS : MTBLC32366
+
* LIGAND-CPD:
−
* PUBCHEM:
+
** [http://www.genome.jp/dbget-bin/www_bget?C00810 C00810]
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4113470 4113470]
+
{{#set: smiles=CC(O)C(=O)C}}
−
{{#set: smiles=CCCCCCCCCCCCCCCCC([O-])=O}}
+
{{#set: inchi key=InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N}}
−
{{#set: common name=heptadecanoate}}
+
{{#set: common name=(R)-acetoin}}
−
{{#set: inchi key=InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M}}
+
{{#set: molecular weight=88.106   }}
−
{{#set: molecular weight=269.446   }}
+
{{#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=margaric acid|margarate|heptadecanoic acid}}
+
{{#set: reversible reaction associated=RR-BUTANEDIOL-DEHYDROGENASE-RXN}}
−
{{#set: produced by=RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.}}
+

Revision as of 17:59, 18 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/tisogem/index.php?title=IMIDPHOSDEHYD-RXN&oldid=21143"