Difference between revisions of "CPD-7830"

From metabolic_network
Jump to: navigation, search
(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...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7830 CPD-7830] == * smiles: ** CCCCCCCCCCCCCCCCC([O-])=O * inchi key: ** InChIKey=KEMQGTRYU...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7830 CPD-7830] ==
 
* smiles:
 
* smiles:
−
** CC(O)C(=O)C
+
** CCCCCCCCCCCCCCCCC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
+
** InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** (R)-acetoin
+
** heptadecanoate
 
* molecular weight:
 
* molecular weight:
−
** 88.106    
+
** 269.446    
 
* Synonym(s):
 
* Synonym(s):
−
** (R)-2-acetoin
+
** margaric acid
−
** (R)-3-hydroxy-2-butanone
+
** margarate
−
** (R)-3-hydroxybutan-2-one
+
** heptadecanoic acid
−
** (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  ==
−
* PUBCHEM:
 
−
** [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=15686 15686]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32366 32366]
−
* LIGAND-CPD:
+
* CHEMSPIDER:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00810 C00810]
+
** [http://www.chemspider.com/Chemical-Structure.3327058.html 3327058]
−
{{#set: smiles=CC(O)C(=O)C}}
+
* Wikipedia : Heptadecanoic_acid
−
{{#set: inchi key=InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N}}
+
* METABOLIGHTS : MTBLC32366
−
{{#set: common name=(R)-acetoin}}
+
* PUBCHEM:
−
{{#set: molecular weight=88.106   }}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4113470 4113470]
−
{{#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: smiles=CCCCCCCCCCCCCCCCC([O-])=O}}
−
{{#set: consumed or produced by=RR-BUTANEDIOL-DEHYDROGENASE-RXN}}
+
{{#set: inchi key=InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M}}
 +
{{#set: common name=heptadecanoate}}
 +
{{#set: molecular weight=269.446   }}
 +
{{#set: common name=margaric acid|margarate|heptadecanoic acid}}
 +
{{#set: produced by=RXN66-476-CPD-14719/NAD/WATER//CPD-7830/NADH/PROTON.42.}}

Latest revision as of 19:13, 21 March 2018

Metabolite CPD-7830

  • smiles:
    • CCCCCCCCCCCCCCCCC([O-])=O
  • inchi key:
    • InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-M
  • common name:
    • heptadecanoate
  • molecular weight:
    • 269.446
  • Synonym(s):
    • margaric acid
    • margarate
    • heptadecanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CHEBI:
  • CHEMSPIDER:
  • Wikipedia : Heptadecanoic_acid
  • METABOLIGHTS : MTBLC32366
  • PUBCHEM:
"CCCCCCCCCCCCCCCCC([O-])=O" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-7830&oldid=40204"