Difference between revisions of "CPD-8117"

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(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-11241 CPD-11241] == * smiles: ** C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)...")
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-11241 CPD-11241] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCC([O-])=O
+
** C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)O))
 
* inchi key:
 
* inchi key:
−
** InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M
+
** InChIKey=LLVVMXFNKAHVEZ-GAWNPARCSA-L
 
* common name:
 
* common name:
−
** laurate
+
** 4-(4-deoxy-α-D-galact-4-enuronosyl)-D-galacturonate
 
* molecular weight:
 
* molecular weight:
−
** 199.312    
+
** 350.235    
 
* Synonym(s):
 
* Synonym(s):
−
** n-dodecanoic acid
+
** 4-(4-deoxy-β-D-gluc-4-enuronosyl)-D-galacturonate
−
** dodecanoic acid
+
** 4-(4-deoxy-β-D-gluc-4-enuronosyl)-galacturonate
−
** lauric acid
+
** 4-(4-deoxy-α-D-gluc-4-enuronosyl)-D-galacturonate
−
** tin II 2-ethylhexanoate
+
** unsaturated digalacturonate
−
** dodecanoate
+
** 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid
 +
** 4-O-(4-deoxy-β-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-16393]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-14897]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* NCI:
 
−
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=5026 5026]
 
−
* CAS : 143-07-7
 
−
* BIGG : 40351
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4149208 4149208]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878600 46878600]
−
* HMDB : HMDB00638
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C02679 C02679]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.3361474.html 3361474]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18262 18262]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60189 60189]
−
* METABOLIGHTS : MTBLC18262
+
* LIGAND-CPD:
−
{{#set: smiles=CCCCCCCCCCCC([O-])=O}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C04733 C04733]
−
{{#set: inchi key=InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C06118 C06118]
−
{{#set: common name=laurate}}
+
{{#set: smiles=C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)O))}}
−
{{#set: molecular weight=199.312   }}
+
{{#set: inchi key=InChIKey=LLVVMXFNKAHVEZ-GAWNPARCSA-L}}
−
{{#set: common name=n-dodecanoic acid|dodecanoic acid|lauric acid|tin II 2-ethylhexanoate|dodecanoate}}
+
{{#set: common name=4-(4-deoxy-α-D-galact-4-enuronosyl)-D-galacturonate}}
−
{{#set: consumed by=RXN-16393}}
+
{{#set: molecular weight=350.235   }}
 +
{{#set: common name=4-(4-deoxy-β-D-gluc-4-enuronosyl)-D-galacturonate|4-(4-deoxy-β-D-gluc-4-enuronosyl)-galacturonate|4-(4-deoxy-α-D-gluc-4-enuronosyl)-D-galacturonate|unsaturated digalacturonate|4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid|4-O-(4-deoxy-β-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid}}
 +
{{#set: produced by=RXN-14897}}

Revision as of 22:43, 17 March 2018

Metabolite CPD-11241

  • smiles:
    • C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)O))
  • inchi key:
    • InChIKey=LLVVMXFNKAHVEZ-GAWNPARCSA-L
  • common name:
    • 4-(4-deoxy-α-D-galact-4-enuronosyl)-D-galacturonate
  • molecular weight:
    • 350.235
  • Synonym(s):
    • 4-(4-deoxy-β-D-gluc-4-enuronosyl)-D-galacturonate
    • 4-(4-deoxy-β-D-gluc-4-enuronosyl)-galacturonate
    • 4-(4-deoxy-α-D-gluc-4-enuronosyl)-D-galacturonate
    • unsaturated digalacturonate
    • 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid
    • 4-O-(4-deoxy-β-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)O))" cannot be used as a page name in this wiki.



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