Difference between revisions of "RXN-17203"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7247 CPD-7247] == * smiles: ** CC(C=CC1(C(CCCC=1C)(C)C))=CC=CC(CCO)C * inchi key: ** InChIK...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11402 CPD-11402] == * smiles: ** C([O-])(=O)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7247 CPD-7247] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11402 CPD-11402] ==
 
* smiles:
 
* smiles:
** CC(C=CC1(C(CCCC=1C)(C)C))=CC=CC(CCO)C
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** C([O-])(=O)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)=C2)OC3(=CC(I)=C(O)C=C3)))
 
* inchi key:
 
* inchi key:
** InChIKey=OVBOQVAIYMSUDT-HRYGCDPOSA-N
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** InChIKey=LQMBVWCQWFEPFK-DKBYMCRTSA-M
 
* common name:
 
* common name:
** all-trans-13,14-dihydroretinol
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** 3,5,3'-triiodo-L-thyronine acyl β-D-glucuronide
 
* molecular weight:
 
* molecular weight:
** 288.472    
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** 826.095    
 
* Synonym(s):
 
* Synonym(s):
 +
** 3,5,3'-triiodothyronine acyl β-D-glucuronide
  
 
== 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 ==
* [[1.3.99.23-RXN]]
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* [[RXN-10609]]
* [[RETINOLSAT]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=446798 446798]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659330 90659330]
* HMDB : HMDB11618
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{{#set: smiles=C([O-])(=O)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)=C2)OC3(=CC(I)=C(O)C=C3)))}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=LQMBVWCQWFEPFK-DKBYMCRTSA-M}}
** [http://www.genome.jp/dbget-bin/www_bget?C15492 C15492]
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{{#set: common name=3,5,3'-triiodo-L-thyronine acyl β-D-glucuronide}}
* CHEMSPIDER:
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{{#set: molecular weight=826.095   }}
** [http://www.chemspider.com/Chemical-Structure.394057.html 394057]
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{{#set: common name=3,5,3'-triiodothyronine acyl β-D-glucuronide}}
* CHEBI:
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{{#set: produced by=RXN-10609}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=52075 52075]
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* METABOLIGHTS : MTBLC52075
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{{#set: smiles=CC(C=CC1(C(CCCC=1C)(C)C))=CC=CC(CCO)C}}
+
{{#set: inchi key=InChIKey=OVBOQVAIYMSUDT-HRYGCDPOSA-N}}
+
{{#set: common name=all-trans-13,14-dihydroretinol}}
+
{{#set: molecular weight=288.472   }}
+
{{#set: produced by=1.3.99.23-RXN|RETINOLSAT}}
+

Revision as of 18:55, 18 March 2018

Metabolite CPD-11402

  • smiles:
    • C([O-])(=O)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)=C2)OC3(=CC(I)=C(O)C=C3)))
  • inchi key:
    • InChIKey=LQMBVWCQWFEPFK-DKBYMCRTSA-M
  • common name:
    • 3,5,3'-triiodo-L-thyronine acyl β-D-glucuronide
  • molecular weight:
    • 826.095
  • Synonym(s):
    • 3,5,3'-triiodothyronine acyl β-D-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)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)=C2)OC3(=CC(I)=C(O)C=C3)))" cannot be used as a page name in this wiki.