Difference between revisions of "CPD1F-137"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] == * smiles: ** COC(C1(C=CC=CC=1O))=O * inchi key: ** InChIKey=OSWPMRLSEDHDF...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-137 CPD1F-137] == * smiles: ** C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6442 CPD-6442] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-137 CPD1F-137] ==
 
* smiles:
 
* smiles:
** COC(C1(C=CC=CC=1O))=O
+
** C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))
 
* inchi key:
 
* inchi key:
** InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N
+
** InChIKey=RSQSQJNRHICNNH-UKJRIFTCSA-M
 
* common name:
 
* common name:
** 1-O-methylsalicylate
+
** gibberellin A4
 
* molecular weight:
 
* molecular weight:
** 152.149    
+
** 331.388    
 
* Synonym(s):
 
* Synonym(s):
** salicylate methyl ester
+
** GA4
** methyl salicylate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXNQT-4366]]
+
* [[RXN-6550]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN1F-165]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* DRUGBANK : DB07815
 +
* LIPID_MAPS : LMPR0104170021
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4133 4133]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245706 25245706]
* HMDB : HMDB34172
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C12305 C12305]
+
** [http://www.genome.jp/dbget-bin/www_bget?C11864 C11864]
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.13848808.html 13848808]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31832 31832]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32902 32902]
* METABOLIGHTS : MTBLC31832
+
* METABOLIGHTS : MTBLC32902
{{#set: smiles=COC(C1(C=CC=CC=1O))=O}}
+
{{#set: smiles=C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))}}
{{#set: inchi key=InChIKey=OSWPMRLSEDHDFF-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=RSQSQJNRHICNNH-UKJRIFTCSA-M}}
{{#set: common name=1-O-methylsalicylate}}
+
{{#set: common name=gibberellin A4}}
{{#set: molecular weight=152.149   }}
+
{{#set: molecular weight=331.388   }}
{{#set: common name=salicylate methyl ester|methyl salicylate}}
+
{{#set: common name=GA4}}
{{#set: consumed by=RXNQT-4366}}
+
{{#set: consumed by=RXN-6550}}
 +
{{#set: produced by=RXN1F-165}}

Latest revision as of 19:53, 21 March 2018

Metabolite CPD1F-137

  • smiles:
    • C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))
  • inchi key:
    • InChIKey=RSQSQJNRHICNNH-UKJRIFTCSA-M
  • common name:
    • gibberellin A4
  • molecular weight:
    • 331.388
  • Synonym(s):
    • GA4

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB07815
  • LIPID_MAPS : LMPR0104170021
  • PUBCHEM:
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC32902
"C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))" cannot be used as a page name in this wiki.