Difference between revisions of "E-"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11404 CPD-11404] == * smiles: ** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2)) * in...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NONAPRENYL-4-HYDROXYBENZOATE NONAPRENYL-4-HYDROXYBENZOATE] == * smiles: ** CC(=CCCC(=CCCC(=CCCC...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11404 CPD-11404] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NONAPRENYL-4-HYDROXYBENZOATE NONAPRENYL-4-HYDROXYBENZOATE] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))
+
** CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C
* inchi key:
+
** InChIKey=UOWZUVNAGUAEQC-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** 3,3',5-triiodothyroacetate
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** 3-nonaprenyl-4-hydroxybenzoate
 +
* inchi key:
 +
** InChIKey=YKKKMRBEPIZPBH-XWEAJCOCSA-M
 
* molecular weight:
 
* molecular weight:
** 620.928    
+
** 750.178    
 
* Synonym(s):
 
* Synonym(s):
** 3,3',5-triiodothyroacetic acid
+
** 3-solanesyl-4-hydroxybenzoate
** Triac
+
** nonaprenyl-4-hydroxybenzoic acid
** Tiratricol
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** 3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester
** Tiracana
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10618]]
+
* [[R600]]
* [[RXN-10619]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[2.5.1.39-RXN]]
 
== 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=21679629 21679629]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54746221 54746221]
* CHEMSPIDER:
+
* HMDB : HMDB32488
** [http://www.chemspider.com/Chemical-Structure.10295972.html 10295972]
+
* CHEBI:
{{#set: smiles=C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84502 84502]
{{#set: inchi key=InChIKey=UOWZUVNAGUAEQC-UHFFFAOYSA-M}}
+
* LIGAND-CPD:
{{#set: common name=3,3',5-triiodothyroacetate}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03885 C03885]
{{#set: molecular weight=620.928   }}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C}}
{{#set: common name=3,3',5-triiodothyroacetic acid|Triac|Tiratricol|Tiracana}}
+
{{#set: common name=3-nonaprenyl-4-hydroxybenzoate}}
{{#set: consumed by=RXN-10618|RXN-10619}}
+
{{#set: inchi key=InChIKey=YKKKMRBEPIZPBH-XWEAJCOCSA-M}}
 +
{{#set: molecular weight=750.178   }}
 +
{{#set: common name=3-solanesyl-4-hydroxybenzoate|nonaprenyl-4-hydroxybenzoic acid|3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester}}
 +
{{#set: consumed by=R600}}
 +
{{#set: produced by=2.5.1.39-RXN}}

Revision as of 14:52, 21 March 2018

Metabolite NONAPRENYL-4-HYDROXYBENZOATE

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C
  • common name:
    • 3-nonaprenyl-4-hydroxybenzoate
  • inchi key:
    • InChIKey=YKKKMRBEPIZPBH-XWEAJCOCSA-M
  • molecular weight:
    • 750.178
  • Synonym(s):
    • 3-solanesyl-4-hydroxybenzoate
    • nonaprenyl-4-hydroxybenzoic acid
    • 3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl ester

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C" cannot be used as a page name in this wiki.