Difference between revisions of "SINAPATE"

From metabolic_network
Jump to: navigation, search
(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....")
 
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN0-901 RXN0-901] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPATE SINAPATE] ==
−
* direction:
+
* smiles:
−
** REVERSIBLE
+
** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
−
* ec number:
+
* molecular weight:
−
** [http://enzyme.expasy.org/EC/1.17.1.4 EC-1.17.1.4]
+
** 223.205   
 +
* inchi key:
 +
** InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
 +
* common name:
 +
** sinapate
 
* Synonym(s):
 
* Synonym(s):
 +
** 3,5-dimethoxy-4-hydroxycinnamate
 +
** sinapinate
 +
** sinapinic acid
 +
** sinapic acid
 +
** 3,5-dimethoxy-4-hydroxycinnamic acid
 +
** 4-hydroxy-3,5-dimethoxycinnamate
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-10919]]
−
** 1 [[WATER]][c] '''+''' 1 [[NAD]][c] '''+''' 1 [[XANTHINE]][c] '''<=>''' 1 [[PROTON]][c] '''+''' 1 [[URATE]][c] '''+''' 1 [[NADH]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
* [[RXN-8014]]
−
** 1 H2O[c] '''+''' 1 NAD+[c] '''+''' 1 xanthine[c] '''<=>''' 1 H+[c] '''+''' 1 urate[c] '''+''' 1 NADH[c]
+
== Reaction(s) of unknown directionality ==
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[CHC_T00000194001_1]]
+
−
** [[pantograph]]-[[a.taliana]]
+
−
* [[CHC_T00006932001_1]]
+
−
** [[pantograph]]-[[a.taliana]]
+
−
* [[CHC_T00006216001_1]]
+
−
** [[pantograph]]-[[a.taliana]]
+
−
== Pathways  ==
+
−
* [[PWY-6607]], guanosine nucleotides degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6607 PWY-6607]
+
−
** '''2''' reactions found over '''4''' reactions in the full pathway
+
−
* [[SALVADEHYPOX-PWY]], adenosine nucleotides degradation II: [http://metacyc.org/META/NEW-IMAGE?object=SALVADEHYPOX-PWY SALVADEHYPOX-PWY]
+
−
** '''4''' reactions found over '''5''' reactions in the full pathway
+
−
* [[P164-PWY]], purine nucleobases degradation I (anaerobic): [http://metacyc.org/META/NEW-IMAGE?object=P164-PWY P164-PWY]
+
−
** '''3''' reactions found over '''17''' reactions in the full pathway
+
−
* [[PWY-6596]], adenosine nucleotides degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6596 PWY-6596]
+
−
** '''6''' reactions found over '''8''' reactions in the full pathway
+
−
* [[PWY-5497]], purine nucleobases degradation II (anaerobic): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5497 PWY-5497]
+
−
** '''7''' reactions found over '''24''' reactions in the full pathway
+
−
* [[PWY-6606]], guanosine nucleotides degradation II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6606 PWY-6606]
+
−
** '''2''' reactions found over '''4''' reactions in the full pathway
+
−
* [[PWY-6999]], theophylline degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6999 PWY-6999]
+
−
** '''2''' reactions found over '''9''' reactions in the full pathway
+
−
* [[PWY-6608]], guanosine nucleotides degradation III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6608 PWY-6608]
+
−
** '''2''' reactions found over '''4''' reactions in the full pathway
+
−
* [[PWY-5695]], urate biosynthesis/inosine 5'-phosphate degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5695 PWY-5695]
+
−
** '''3''' reactions found over '''4''' reactions in the full pathway
+
−
* [[PWY-6538]], caffeine degradation III (bacteria, via demethylation): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6538 PWY-6538]
+
−
** '''2''' reactions found over '''7''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[orthology]]:
+
−
** [[pantograph]]:
+
−
*** [[a.taliana]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* CAS : 530-59-6
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=16669 16669]
+
* HMDB : HMDB32616
−
* LIGAND-RXN:
+
* CHEMSPIDER:
−
** [http://www.genome.jp/dbget-bin/www_bget?R02103 R02103]
+
** [http://www.chemspider.com/Chemical-Structure.4573878.html 4573878]
−
* UNIPROT:
+
* CHEBI:
−
** [http://www.uniprot.org/uniprot/Q62637 Q62637]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30023 30023]
−
** [http://www.uniprot.org/uniprot/P22811 P22811]
+
* LIGAND-CPD:
−
** [http://www.uniprot.org/uniprot/Q12553 Q12553]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00482 C00482]
−
** [http://www.uniprot.org/uniprot/P08793 P08793]
+
* PUBCHEM:
−
** [http://www.uniprot.org/uniprot/P10351 P10351]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54710960 54710960]
−
** [http://www.uniprot.org/uniprot/Q7M0I7 Q7M0I7]
+
* NCI:
−
** [http://www.uniprot.org/uniprot/Q7M0I8 Q7M0I8]
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=59261 59261]
−
** [http://www.uniprot.org/uniprot/Q7M0I9 Q7M0I9]
+
{{#set: smiles=COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)}}
−
** [http://www.uniprot.org/uniprot/P47990 P47990]
+
{{#set: molecular weight=223.205    }}
−
** [http://www.uniprot.org/uniprot/P47989 P47989]
+
{{#set: inchi key=InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M}}
−
** [http://www.uniprot.org/uniprot/Q00519 Q00519]
+
{{#set: common name=sinapate}}
−
{{#set: direction=REVERSIBLE}}
+
{{#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: ec number=EC-1.17.1.4}}
+
{{#set: consumed by=RXN-10919}}
−
{{#set: gene associated=CHC_T00000194001_1|CHC_T00006932001_1|CHC_T00006216001_1}}
+
{{#set: produced by=RXN-8014}}
−
{{#set: in pathway=PWY-6607|SALVADEHYPOX-PWY|P164-PWY|PWY-6596|PWY-5497|PWY-6606|PWY-6999|PWY-6608|PWY-5695|PWY-6538}}
+
−
{{#set: reconstruction category=orthology}}
+
−
{{#set: reconstruction tool=pantograph}}
+
−
{{#set: reconstruction source=a.taliana}}
+

Latest revision as of 18:44, 9 January 2019

Metabolite SINAPATE

  • smiles:
    • COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
  • molecular weight:
    • 223.205
  • inchi key:
    • InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
  • common name:
    • sinapate
  • 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.




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=SINAPATE&oldid=23440"