Difference between revisions of "SINAPATE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN0-901 RXN0-901] == * direction: ** REVERSIBLE * ec number: ** [http://enzyme.expasy.org/EC/1.17....")
 
(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...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN0-901 RXN0-901] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPATE SINAPATE] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.17.1.4 EC-1.17.1.4]
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** InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
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* common name:
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** sinapate
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* molecular weight:
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** 223.205   
 
* Synonym(s):
 
* Synonym(s):
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** 3,5-dimethoxy-4-hydroxycinnamate
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** sinapinate
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** sinapinic acid
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** sinapic acid
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** 3,5-dimethoxy-4-hydroxycinnamic acid
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** 4-hydroxy-3,5-dimethoxycinnamate
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[RXN-10919]]
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** 1 [[WATER]][c] '''+''' 1 [[NAD]][c] '''+''' 1 [[XANTHINE]][c] '''<=>''' 1 [[PROTON]][c] '''+''' 1 [[URATE]][c] '''+''' 1 [[NADH]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[RXN-8014]]
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** 1 H2O[c] '''+''' 1 NAD+[c] '''+''' 1 xanthine[c] '''<=>''' 1 H+[c] '''+''' 1 urate[c] '''+''' 1 NADH[c]
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== Reaction(s) of unknown directionality ==
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[CHC_T00000194001_1]]
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** [[pantograph]]-[[a.taliana]]
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* [[CHC_T00006932001_1]]
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** [[pantograph]]-[[a.taliana]]
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* [[CHC_T00006216001_1]]
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** [[pantograph]]-[[a.taliana]]
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== Pathways  ==
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* [[PWY-6607]], guanosine nucleotides degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6607 PWY-6607]
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** '''2''' reactions found over '''4''' reactions in the full pathway
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* [[SALVADEHYPOX-PWY]], adenosine nucleotides degradation II: [http://metacyc.org/META/NEW-IMAGE?object=SALVADEHYPOX-PWY SALVADEHYPOX-PWY]
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** '''4''' reactions found over '''5''' reactions in the full pathway
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* [[P164-PWY]], purine nucleobases degradation I (anaerobic): [http://metacyc.org/META/NEW-IMAGE?object=P164-PWY P164-PWY]
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** '''3''' reactions found over '''17''' reactions in the full pathway
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* [[PWY-6596]], adenosine nucleotides degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6596 PWY-6596]
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** '''6''' reactions found over '''8''' reactions in the full pathway
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* [[PWY-5497]], purine nucleobases degradation II (anaerobic): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5497 PWY-5497]
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** '''7''' reactions found over '''24''' reactions in the full pathway
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* [[PWY-6606]], guanosine nucleotides degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6606 PWY-6606]
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** '''2''' reactions found over '''4''' reactions in the full pathway
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* [[PWY-6999]], theophylline degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6999 PWY-6999]
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** '''2''' reactions found over '''9''' reactions in the full pathway
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* [[PWY-6608]], guanosine nucleotides degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6608 PWY-6608]
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** '''2''' reactions found over '''4''' reactions in the full pathway
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* [[PWY-5695]], urate biosynthesis/inosine 5'-phosphate degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5695 PWY-5695]
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** '''3''' reactions found over '''4''' reactions in the full pathway
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* [[PWY-6538]], caffeine degradation III (bacteria, via demethylation): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6538 PWY-6538]
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** '''2''' reactions found over '''7''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[a.taliana]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* NCI:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=16669 16669]
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=59261 59261]
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* LIGAND-RXN:
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* CAS : 530-59-6
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** [http://www.genome.jp/dbget-bin/www_bget?R02103 R02103]
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* PUBCHEM:
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* UNIPROT:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54710960 54710960]
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** [http://www.uniprot.org/uniprot/Q62637 Q62637]
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* HMDB : HMDB32616
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** [http://www.uniprot.org/uniprot/P22811 P22811]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/Q12553 Q12553]
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** [http://www.genome.jp/dbget-bin/www_bget?C00482 C00482]
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** [http://www.uniprot.org/uniprot/P08793 P08793]
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/P10351 P10351]
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** [http://www.chemspider.com/Chemical-Structure.4573878.html 4573878]
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** [http://www.uniprot.org/uniprot/Q7M0I7 Q7M0I7]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/Q7M0I8 Q7M0I8]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30023 30023]
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** [http://www.uniprot.org/uniprot/Q7M0I9 Q7M0I9]
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{{#set: smiles=COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)}}
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** [http://www.uniprot.org/uniprot/P47990 P47990]
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{{#set: inchi key=InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M}}
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** [http://www.uniprot.org/uniprot/P47989 P47989]
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{{#set: common name=sinapate}}
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** [http://www.uniprot.org/uniprot/Q00519 Q00519]
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{{#set: molecular weight=223.205    }}
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=3,5-dimethoxy-4-hydroxycinnamate|sinapinate|sinapinic acid|sinapic acid|3,5-dimethoxy-4-hydroxycinnamic acid|4-hydroxy-3,5-dimethoxycinnamate}}
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{{#set: ec number=EC-1.17.1.4}}
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{{#set: consumed by=RXN-10919}}
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{{#set: gene associated=CHC_T00000194001_1|CHC_T00006932001_1|CHC_T00006216001_1}}
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{{#set: produced by=RXN-8014}}
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{{#set: in pathway=PWY-6607|SALVADEHYPOX-PWY|P164-PWY|PWY-6596|PWY-5497|PWY-6606|PWY-6999|PWY-6608|PWY-5695|PWY-6538}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=a.taliana}}
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Revision as of 16:48, 23 May 2018

Metabolite SINAPATE

  • smiles:
    • COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
  • inchi key:
    • InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
  • common name:
    • sinapate
  • molecular weight:
    • 223.205
  • Synonym(s):
    • 3,5-dimethoxy-4-hydroxycinnamate
    • sinapinate
    • 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 produce the compound

Reaction(s) of unknown directionality

External links

"COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)" cannot be used as a page name in this wiki.




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