Difference between revisions of "CPD-8653"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TYR TYR] == * smiles: ** C(C(CC1(C=CC(O)=CC=1))[N+])(=O)[O-] * inchi key: ** InChIKey=OUYCCCASQ...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8653 CPD-8653] == * smiles: ** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TYR TYR] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8653 CPD-8653] ==
 
* smiles:
 
* smiles:
−
** C(C(CC1(C=CC(O)=CC=1))[N+])(=O)[O-]
+
** C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
 
* inchi key:
 
* inchi key:
−
** InChIKey=OUYCCCASQSFEME-QMMMGPOBSA-N
+
** InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L
 
* common name:
 
* common name:
−
** L-tyrosine
+
** betanidin
 
* molecular weight:
 
* molecular weight:
−
** 181.191    
+
** 386.317    
 
* Synonym(s):
 
* Synonym(s):
−
** Y
+
** betanidin radical
−
** tyr
+
** 2,6-Pyridinedicarboxylic acid
−
** tyrosine
+
−
** L-tyr
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[biomass_rxn]]
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* [[RXN-8635]]
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* [[6.3.2.25-RXN]]
+
−
* [[MONOPHENOL-MONOOXYGENASE-RXN]]
+
−
* [[TYROSINE-DECARBOXYLASE-RXN]]
+
−
* [[TYROSINE--TRNA-LIGASE-RXN]]
+
−
* [[RXN-5861]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[CYCLOHEXADIENYL-DEHYDROGENASE-RXN]]
 
−
* [[RXN66-569]]
 
−
* [[R15-RXN-MET/P-HYDROXY-PHENYLPYRUVATE//CPD-479/TYR.42.]]
 
−
* [[RXN-5682]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[L-AMINO-ACID-DEHYDROGENASE-RXN-TYR/NAD/WATER//P-HYDROXY-PHENYLPYRUVATE/AMMONIUM/NADH/PROTON.61.]]
 
−
* [[RXN3O-4157]]
 
−
* [[2.6.1.14-RXN-P-HYDROXY-PHENYLPYRUVATE/ASN//2-OXOSUCCINAMATE/TYR.51.]]
 
−
* [[ORNITHINE--OXO-ACID-AMINOTRANSFERASE-RXN-L-ORNITHINE/P-HYDROXY-PHENYLPYRUVATE//TYR/L-GLUTAMATE_GAMMA-SEMIALDEHYDE.73.]]
 
−
* [[TYROSINE-AMINOTRANSFERASE-RXN]]
 
−
* [[RXN-15200]]
 
−
* [[RXN-14476]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 60-18-4
+
* DRUGBANK : DB00217
−
* BIGG : 33785
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6942100 6942100]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245506 25245506]
−
* HMDB : HMDB00158
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00082 C00082]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58315 58315]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=3079 3079]
−
* METABOLIGHTS : MTBLC58315
+
* LIGAND-CPD:
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{{#set: smiles=C(C(CC1(C=CC(O)=CC=1))[N+])(=O)[O-]}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C08539 C08539]
−
{{#set: inchi key=InChIKey=OUYCCCASQSFEME-QMMMGPOBSA-N}}
+
* HMDB : HMDB29407
−
{{#set: common name=L-tyrosine}}
+
{{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}}
−
{{#set: molecular weight=181.191   }}
+
{{#set: inchi key=InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L}}
−
{{#set: common name=Y|tyr|tyrosine|L-tyr}}
+
{{#set: common name=betanidin}}
−
{{#set: consumed by=biomass_rxn|6.3.2.25-RXN|MONOPHENOL-MONOOXYGENASE-RXN|TYROSINE-DECARBOXYLASE-RXN|TYROSINE--TRNA-LIGASE-RXN|RXN-5861}}
+
{{#set: molecular weight=386.317   }}
−
{{#set: produced by=CYCLOHEXADIENYL-DEHYDROGENASE-RXN|RXN66-569|R15-RXN-MET/P-HYDROXY-PHENYLPYRUVATE//CPD-479/TYR.42.|RXN-5682}}
+
{{#set: common name=betanidin radical|2,6-Pyridinedicarboxylic acid}}
−
{{#set: reversible reaction associated=L-AMINO-ACID-DEHYDROGENASE-RXN-TYR/NAD/WATER//P-HYDROXY-PHENYLPYRUVATE/AMMONIUM/NADH/PROTON.61.|RXN3O-4157|2.6.1.14-RXN-P-HYDROXY-PHENYLPYRUVATE/ASN//2-OXOSUCCINAMATE/TYR.51.|ORNITHINE--OXO-ACID-AMINOTRANSFERASE-RXN-L-ORNITHINE/P-HYDROXY-PHENYLPYRUVATE//TYR/L-GLUTAMATE_GAMMA-SEMIALDEHYDE.73.|TYROSINE-AMINOTRANSFERASE-RXN|RXN-15200|RXN-14476}}
+
{{#set: consumed by=RXN-8635}}

Latest revision as of 19:54, 21 March 2018

Metabolite CPD-8653

  • smiles:
    • C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
  • inchi key:
    • InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-L
  • common name:
    • betanidin
  • molecular weight:
    • 386.317
  • Synonym(s):
    • betanidin radical
    • 2,6-Pyridinedicarboxylic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)" cannot be used as a page name in this wiki.



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