Difference between revisions of "RXN-8026"

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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-11410 CPD-11410] == * smiles: ** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-]...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DODECANOATE DODECANOATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11410 CPD-11410] ==
 
* smiles:
 
* smiles:
** CCCCCCCCCCCC([O-])=O
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** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))
 
* inchi key:
 
* inchi key:
** InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-M
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** InChIKey=VXVBZMWOWMHXTQ-KFYUBCHVSA-L
 
* common name:
 
* common name:
** laurate
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** triiodothyroacetate ether glucuronide
 
* molecular weight:
 
* molecular weight:
** 199.312    
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** 796.046    
 
* Synonym(s):
 
* Synonym(s):
** n-dodecanoic acid
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** triiodothyroacetic acid ether glucuronide
** dodecanoic acid
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** lauric acid
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** tin II 2-ethylhexanoate
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** dodecanoate
+
  
 
== 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-9627]]
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* [[RXN-10619]]
* [[3.1.2.21-RXN]]
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== 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
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4149208 4149208]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659025 90659025]
* HMDB : HMDB00638
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{{#set: smiles=C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=VXVBZMWOWMHXTQ-KFYUBCHVSA-L}}
** [http://www.genome.jp/dbget-bin/www_bget?C02679 C02679]
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{{#set: common name=triiodothyroacetate ether glucuronide}}
* CHEMSPIDER:
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{{#set: molecular weight=796.046   }}
** [http://www.chemspider.com/Chemical-Structure.3361474.html 3361474]
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{{#set: common name=triiodothyroacetic acid ether glucuronide}}
* CHEBI:
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{{#set: produced by=RXN-10619}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18262 18262]
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* METABOLIGHTS : MTBLC18262
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{{#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}}
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{{#set: consumed by=RXN-16393}}
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{{#set: produced by=RXN-9627|3.1.2.21-RXN}}
+

Revision as of 17:10, 10 January 2018

Metabolite CPD-11410

  • smiles:
    • C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))
  • inchi key:
    • InChIKey=VXVBZMWOWMHXTQ-KFYUBCHVSA-L
  • common name:
    • triiodothyroacetate ether glucuronide
  • molecular weight:
    • 796.046
  • Synonym(s):
    • triiodothyroacetic acid ether glucuronide

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))" cannot be used as a page name in this wiki.