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=ANTHRANILATE ANTHRANILATE] == * smiles: ** C(C1(C(=CC=CC=1)N))(=O)[O-] * inchi key: ** InChIKey...")
 
(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=SINAPATE SINAPATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ANTHRANILATE ANTHRANILATE] ==
 
* smiles:
 
* smiles:
** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
+
** C(C1(C(=CC=CC=1)N))(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
+
** InChIKey=RWZYAGGXGHYGMB-UHFFFAOYSA-M
 
* common name:
 
* common name:
** sinapate
+
** anthranilate
 
* molecular weight:
 
* molecular weight:
** 223.205    
+
** 136.13    
 
* Synonym(s):
 
* Synonym(s):
** 3,5-dimethoxy-4-hydroxycinnamate
+
** anthranilic acid
** sinapinate
+
** 2-aminobenzoic acid
** sinapinic acid
+
** vitamin L1
** sinapic acid
+
** o-aminobenzoic acid
** 3,5-dimethoxy-4-hydroxycinnamic acid
+
** 2-aminobenzoate
** 4-hydroxy-3,5-dimethoxycinnamate
+
** o-aminobenzoate
  
 
== 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]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[PRTRANS-RXN]]
 +
* [[ANTHRANSYN-RXN]]
 
== External links  ==
 
== External links  ==
* NCI:
+
* CAS : 118-92-3
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=59261 59261]
+
* BIGG : 33883
* 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=5459842 5459842]
* HMDB : HMDB32616
+
* HMDB : HMDB01123
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00482 C00482]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00108 C00108]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4573878.html 4573878]
+
** [http://www.chemspider.com/Chemical-Structure.4573598.html 4573598]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30023 30023]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16567 16567]
{{#set: smiles=COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)}}
+
* METABOLIGHTS : MTBLC16567
{{#set: inchi key=InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M}}
+
{{#set: smiles=C(C1(C(=CC=CC=1)N))(=O)[O-]}}
{{#set: common name=sinapate}}
+
{{#set: inchi key=InChIKey=RWZYAGGXGHYGMB-UHFFFAOYSA-M}}
{{#set: molecular weight=223.205   }}
+
{{#set: common name=anthranilate}}
{{#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=136.13   }}
{{#set: consumed by=RXN-10919}}
+
{{#set: common name=anthranilic acid|2-aminobenzoic acid|vitamin L1|o-aminobenzoic acid|2-aminobenzoate|o-aminobenzoate}}
{{#set: produced by=RXN-3422}}
+
{{#set: reversible reaction associated=PRTRANS-RXN|ANTHRANSYN-RXN}}

Latest revision as of 19:48, 21 March 2018

Metabolite ANTHRANILATE

  • smiles:
    • C(C1(C(=CC=CC=1)N))(=O)[O-]
  • inchi key:
    • InChIKey=RWZYAGGXGHYGMB-UHFFFAOYSA-M
  • common name:
    • anthranilate
  • molecular weight:
    • 136.13
  • Synonym(s):
    • anthranilic acid
    • 2-aminobenzoic acid
    • vitamin L1
    • o-aminobenzoic acid
    • 2-aminobenzoate
    • o-aminobenzoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 118-92-3
  • BIGG : 33883
  • PUBCHEM:
  • HMDB : HMDB01123
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16567
"C(C1(C(=CC=CC=1)N))(=O)[O-" cannot be used as a page name in this wiki.