Difference between revisions of "CPD-236"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2742 CPD-2742] == * smiles: ** C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2)) * inchi key: ** InChIKey=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-236 CPD-236] == * smiles: ** C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-2742 CPD-2742] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-236 CPD-236] ==
 
* smiles:
 
* smiles:
** C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))
+
** C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C)))C([O-])=O)))
* inchi key:
+
** InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
+
 
* common name:
 
* common name:
** cotinine
+
** gibberellin A29
 +
* inchi key:
 +
** InChIKey=BKBYHSYZKIAJDA-LPEMZMRWSA-M
 
* molecular weight:
 
* molecular weight:
** 176.218    
+
** 347.387    
 
* Synonym(s):
 
* Synonym(s):
 +
** GA29
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN66-169]]
 
* [[RXN66-161]]
 
* [[RXN66-168]]
 
* [[RXN66-163]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-113]]
 
== 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=854019 854019]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200412 25200412]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.746405.html 746405]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=68641 68641]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28040 28040]
* METABOLIGHTS : MTBLC68641
+
* LIGAND-CPD:
* HMDB : HMDB01046
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** [http://www.genome.jp/dbget-bin/www_bget?C06096 C06096]
{{#set: smiles=C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))}}
+
{{#set: smiles=C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C)))C([O-])=O)))}}
{{#set: inchi key=InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N}}
+
{{#set: common name=gibberellin A29}}
{{#set: common name=cotinine}}
+
{{#set: inchi key=InChIKey=BKBYHSYZKIAJDA-LPEMZMRWSA-M}}
{{#set: molecular weight=176.218    }}
+
{{#set: molecular weight=347.387    }}
{{#set: consumed by=RXN66-169|RXN66-161|RXN66-168|RXN66-163}}
+
{{#set: common name=GA29}}
 +
{{#set: produced by=RXN-113}}

Latest revision as of 19:59, 21 March 2018

Metabolite CPD-236

  • smiles:
    • C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C)))C([O-])=O)))
  • common name:
    • gibberellin A29
  • inchi key:
    • InChIKey=BKBYHSYZKIAJDA-LPEMZMRWSA-M
  • molecular weight:
    • 347.387
  • Synonym(s):
    • GA29

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C)))C([O-])=O)))" cannot be used as a page name in this wiki.