Difference between revisions of "ANTHRANILATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPATE SINAPATE] == * smiles: ** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O) * inchi key: ** InChIKe...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] == * smiles: ** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O) * inchi ke...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPATE SINAPATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] ==
 
* smiles:
 
* smiles:
−
** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
+
** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
+
** InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
 
* common name:
 
* common name:
−
** sinapate
+
** (-)-epicatechin
 
* molecular weight:
 
* molecular weight:
−
** 223.205    
+
** 290.272    
 
* Synonym(s):
 
* Synonym(s):
−
** 3,5-dimethoxy-4-hydroxycinnamate
+
** epicatechin
−
** sinapinate
+
** 2,3-cis-epicatechin
−
** sinapinic acid
+
−
** sinapic acid
+
−
** 3,5-dimethoxy-4-hydroxycinnamic acid
+
−
** 4-hydroxy-3,5-dimethoxycinnamate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-10919]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-3422]]
+
* [[RXN-9725]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* NCI:
+
* LIPID_MAPS : LMPK12020003
−
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=59261 59261]
+
−
* CAS : 530-59-6
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54710960 54710960]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72276 72276]
−
* HMDB : HMDB32616
+
* HMDB : HMDB01871
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00482 C00482]
+
** [http://www.genome.jp/dbget-bin/www_bget?C09727 C09727]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4573878.html 4573878]
+
** [http://www.chemspider.com/Chemical-Structure.65230.html 65230]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30023 30023]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=90 90]
−
{{#set: smiles=COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)}}
+
* METABOLIGHTS : MTBLC90
−
{{#set: inchi key=InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M}}
+
{{#set: smiles=C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)}}
−
{{#set: common name=sinapate}}
+
{{#set: inchi key=InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N}}
−
{{#set: molecular weight=223.205   }}
+
{{#set: common name=(-)-epicatechin}}
−
{{#set: common name=3,5-dimethoxy-4-hydroxycinnamate|sinapinate|sinapinic acid|sinapic acid|3,5-dimethoxy-4-hydroxycinnamic acid|4-hydroxy-3,5-dimethoxycinnamate}}
+
{{#set: molecular weight=290.272   }}
−
{{#set: consumed by=RXN-10919}}
+
{{#set: common name=epicatechin|2,3-cis-epicatechin}}
−
{{#set: produced by=RXN-3422}}
+
{{#set: produced by=RXN-9725}}

Revision as of 22:46, 17 March 2018

Metabolite CPD-7630

  • smiles:
    • C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)
  • inchi key:
    • InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
  • common name:
    • (-)-epicatechin
  • molecular weight:
    • 290.272
  • Synonym(s):
    • epicatechin
    • 2,3-cis-epicatechin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMPK12020003
  • PUBCHEM:
  • HMDB : HMDB01871
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC90




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