Difference between revisions of "CPD-4124"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13008 CPD-13008] == * smiles: ** C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C(I)=C2)O)))[N+])([O-])=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4124 CPD-4124] == * smiles: ** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[C...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13008 CPD-13008] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4124 CPD-4124] ==
 
* smiles:
 
* smiles:
** C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C(I)=C2)O)))[N+])([O-])=O
+
** CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[CH]2CCC(C)34))))
 
* common name:
 
* common name:
** 3',5'-diiodothyronine
+
** 24-ethylidenelophenol
 
* inchi key:
 
* inchi key:
** InChIKey=LROTZSUGDZPWDN-ZDUSSCGKSA-N
+
** InChIKey=LPZCCMIISIBREI-JXMPMKKESA-N
 
* molecular weight:
 
* molecular weight:
** 525.081    
+
** 426.724    
 
* Synonym(s):
 
* Synonym(s):
** 3',5'-diiodo-L-thyronine
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** (Z)-24-ethylidenelophenol
 +
** citrostadienol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12037]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[2.1.1.143-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=50986088 50986088]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9548595 9548595]
{{#set: smiles=C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C(I)=C2)O)))[N+])([O-])=O}}
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* CHEBI:
{{#set: common name=3',5'-diiodothyronine}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=33203 33203]
{{#set: inchi key=InChIKey=LROTZSUGDZPWDN-ZDUSSCGKSA-N}}
+
* LIGAND-CPD:
{{#set: molecular weight=525.081   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C11523 C11523]
{{#set: common name=3',5'-diiodo-L-thyronine}}
+
{{#set: smiles=CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[CH]2CCC(C)34))))}}
{{#set: consumed by=RXN-12037}}
+
{{#set: common name=24-ethylidenelophenol}}
 +
{{#set: inchi key=InChIKey=LPZCCMIISIBREI-JXMPMKKESA-N}}
 +
{{#set: molecular weight=426.724   }}
 +
{{#set: common name=(Z)-24-ethylidenelophenol|citrostadienol}}
 +
{{#set: produced by=2.1.1.143-RXN}}

Latest revision as of 20:17, 21 March 2018

Metabolite CPD-4124

  • smiles:
    • CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • 24-ethylidenelophenol
  • inchi key:
    • InChIKey=LPZCCMIISIBREI-JXMPMKKESA-N
  • molecular weight:
    • 426.724
  • Synonym(s):
    • (Z)-24-ethylidenelophenol
    • citrostadienol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.