Difference between revisions of "RXN-7665"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DODECANOATE DODECANOATE] == * smiles: ** CCCCCCCCCCCC([O-])=O * inchi key: ** InChIKey=POULHZVO...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19491 CPD-19491] == * smiles: ** C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-] * common name: ** 3-isop...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DODECANOATE DODECANOATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19491 CPD-19491] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCC([O-])=O
+
** C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-]
* inchi key:
+
** InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** laurate
+
** 3-isopropyl-6-(methylthio)-2-oxohexanoate
 +
* inchi key:
 +
** InChIKey=WRGKTDWHJSBCJR-UHFFFAOYSA-L
 
* molecular weight:
 
* molecular weight:
** 199.312    
+
** 218.224    
 
* Synonym(s):
 
* Synonym(s):
** n-dodecanoic acid
 
** dodecanoic acid
 
** lauric acid
 
** tin II 2-ethylhexanoate
 
** dodecanoate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-16393]]
+
* [[RXN-18209]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-9627]]
 
* [[3.1.2.21-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-18208]]
 
== External links  ==
 
== External links  ==
* NCI:
+
{{#set: smiles=C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-]}}
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5026 5026]
+
{{#set: common name=3-isopropyl-6-(methylthio)-2-oxohexanoate}}
* CAS : 143-07-7
+
{{#set: inchi key=InChIKey=WRGKTDWHJSBCJR-UHFFFAOYSA-L}}
* PUBCHEM:
+
{{#set: molecular weight=218.224   }}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4149208 4149208]
+
{{#set: consumed by=RXN-18209}}
* HMDB : HMDB00638
+
{{#set: reversible reaction associated=RXN-18208}}
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C02679 C02679]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.3361474.html 3361474]
+
* CHEBI:
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18262 18262]
+
* METABOLIGHTS : MTBLC18262
+
{{#set: smiles=CCCCCCCCCCCC([O-])=O}}
+
{{#set: inchi key=InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M}}
+
{{#set: common name=laurate}}
+
{{#set: molecular weight=199.312   }}
+
{{#set: common name=n-dodecanoic acid|dodecanoic acid|lauric acid|tin II 2-ethylhexanoate|dodecanoate}}
+
{{#set: consumed by=RXN-16393}}
+
{{#set: produced by=RXN-9627|3.1.2.21-RXN}}
+

Revision as of 16:51, 21 March 2018

Metabolite CPD-19491

  • smiles:
    • C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-]
  • common name:
    • 3-isopropyl-6-(methylthio)-2-oxohexanoate
  • inchi key:
    • InChIKey=WRGKTDWHJSBCJR-UHFFFAOYSA-L
  • molecular weight:
    • 218.224
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-" cannot be used as a page name in this wiki.