Difference between revisions of "SCOPOLIN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=METHYLENETHFDEHYDROG-NADP-RXN METHYLENETHFDEHYDROG-NADP-RXN] == * direction: ** REVERSIBLE * common...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] == * smiles: ** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O))) * inc...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=METHYLENETHFDEHYDROG-NADP-RXN METHYLENETHFDEHYDROG-NADP-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SCOPOLIN SCOPOLIN] ==
−
* direction:
+
* smiles:
−
** REVERSIBLE
+
** COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
 +
* inchi key:
 +
** InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
 
* common name:
 
* common name:
−
** methylenetetrahydrofolate dehydrogenase (NADP+)
+
** scopolin
−
* ec number:
+
* molecular weight:
−
** [http://enzyme.expasy.org/EC/1.5.1.5 EC-1.5.1.5]
+
** 354.313   
 
* Synonym(s):
 
* Synonym(s):
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[RXN-14179]]
−
** 1 [[NADP]][c] '''+''' 1 [[METHYLENE-THF-GLU-N]][c] '''<=>''' 1 [[NADPH]][c] '''+''' 1 [[5-10-METHENYL-THF-GLU-N]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 NADP+[c] '''+''' 1 a 5,10-methylene-tetrahydrofolate[c] '''<=>''' 1 NADPH[c] '''+''' 1 a 5,10-methenyltetrahydrofolate[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[Ec-15_001370]]
+
−
** ESILICULOSUS_GENOME
+
−
***GO-TERM
+
−
* [[Ec-07_007470]]
+
−
** ESILICULOSUS_GENOME
+
−
***GO-TERM
+
−
* [[Ec-14_004070]]
+
−
** ESILICULOSUS_GENOME
+
−
***GO-TERM
+
−
== Pathways  ==
+
−
* [[PWY-1722]], formate assimilation into 5,10-methylenetetrahydrofolate: [http://metacyc.org/META/NEW-IMAGE?object=PWY-1722 PWY-1722]
+
−
** '''3''' reactions found over '''3''' reactions in the full pathway
+
−
* [[PWY-3841]], folate transformations II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-3841 PWY-3841]
+
−
** '''10''' reactions found over '''11''' reactions in the full pathway
+
−
* [[1CMET2-PWY]], N10-formyl-tetrahydrofolate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=1CMET2-PWY 1CMET2-PWY]
+
−
** '''9''' reactions found over '''9''' reactions in the full pathway
+
−
* [[CODH-PWY]], reductive acetyl coenzyme A pathway I (homoacetogenic bacteria): [http://metacyc.org/META/NEW-IMAGE?object=CODH-PWY CODH-PWY]
+
−
** '''5''' reactions found over '''9''' reactions in the full pathway
+
−
* [[PWY-5497]], purine nucleobases degradation II (anaerobic): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5497 PWY-5497]
+
−
** '''8''' reactions found over '''24''' reactions in the full pathway
+
−
* [[PWY-2201]], folate transformations I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-2201 PWY-2201]
+
−
** '''12''' reactions found over '''12''' reactions in the full pathway
+
−
== Reconstruction information  ==
+
−
* [[annotation]]:
+
−
** [[pathwaytools]]:
+
−
*** [[esiliculosus_genome]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* NCI:
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=22812 22812]
+
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=404560 404560]
−
* LIGAND-RXN:
+
* CAS : 531-44-2
−
** [http://www.genome.jp/dbget-bin/www_bget?R01220 R01220]
+
* PUBCHEM:
−
* UNIPROT:
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439514 439514]
−
** [http://www.uniprot.org/uniprot/P09440 P09440]
+
* LIGAND-CPD:
−
** [http://www.uniprot.org/uniprot/P07245 P07245]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01527 C01527]
−
** [http://www.uniprot.org/uniprot/P11586 P11586]
+
* CHEMSPIDER:
−
** [http://www.uniprot.org/uniprot/P44313 P44313]
+
** [http://www.chemspider.com/Chemical-Structure.307225.html 307225]
−
** [http://www.uniprot.org/uniprot/P47259 P47259]
+
* CHEBI:
−
** [http://www.uniprot.org/uniprot/P54382 P54382]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16065 16065]
−
** [http://www.uniprot.org/uniprot/O67736 O67736]
+
* METABOLIGHTS : MTBLC16065
−
** [http://www.uniprot.org/uniprot/Q9JWI9 Q9JWI9]
+
{{#set: smiles=COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))}}
−
** [http://www.uniprot.org/uniprot/Q9PP68 Q9PP68]
+
{{#set: inchi key=InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N}}
−
** [http://www.uniprot.org/uniprot/P24186 P24186]
+
{{#set: common name=scopolin}}
−
** [http://www.uniprot.org/uniprot/Q60006 Q60006]
+
{{#set: molecular weight=354.313    }}
−
** [http://www.uniprot.org/uniprot/Q27772 Q27772]
+
{{#set: consumed by=RXN-14179}}
−
** [http://www.uniprot.org/uniprot/P51696 P51696]
+
−
** [http://www.uniprot.org/uniprot/O65269 O65269]
+
−
** [http://www.uniprot.org/uniprot/O65271 O65271]
+
−
** [http://www.uniprot.org/uniprot/O68031 O68031]
+
−
** [http://www.uniprot.org/uniprot/Q9ZTV0 Q9ZTV0]
+
−
** [http://www.uniprot.org/uniprot/Q9X7F6 Q9X7F6]
+
−
{{#set: direction=REVERSIBLE}}
+
−
{{#set: common name=methylenetetrahydrofolate dehydrogenase (NADP+)}}
+
−
{{#set: ec number=EC-1.5.1.5}}
+
−
{{#set: gene associated=Ec-15_001370|Ec-07_007470|Ec-14_004070}}
+
−
{{#set: in pathway=PWY-1722|PWY-3841|1CMET2-PWY|CODH-PWY|PWY-5497|PWY-2201}}
+
−
{{#set: reconstruction category=annotation}}
+
−
{{#set: reconstruction tool=pathwaytools}}
+
−
{{#set: reconstruction source=esiliculosus_genome}}
+

Latest revision as of 19:24, 21 March 2018

Metabolite SCOPOLIN

  • smiles:
    • COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))
  • inchi key:
    • InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N
  • common name:
    • scopolin
  • molecular weight:
    • 354.313
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=SCOPOLIN&oldid=26712"