Difference between revisions of "3-7-DIMETHYLXANTHINE"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=1TRANSKETO-RXN 1TRANSKETO-RXN] == * direction: ** REVERSIBLE * common name: ** transketolase * ec n...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] == * smiles: ** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2)) *...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=1TRANSKETO-RXN 1TRANSKETO-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
 
* common name:
 
* common name:
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** transketolase
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** theobromine
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/2.2.1.1 EC-2.2.1.1]
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** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
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* molecular weight:
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** 180.166   
 
* Synonym(s):
 
* Synonym(s):
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** 3,7-dimethylxanthine
  
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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-11519]]
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** 1 [[GAP]][c] '''+''' 1 [[D-SEDOHEPTULOSE-7-P]][c] '''<=>''' 1 [[RIBOSE-5P]][c] '''+''' 1 [[XYLULOSE-5-PHOSPHATE]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 D-glyceraldehyde 3-phosphate[c] '''+''' 1 D-sedoheptulose 7-phosphate[c] '''<=>''' 1 D-ribose 5-phosphate[c] '''+''' 1 D-xylulose 5-phosphate[c]
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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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* [[Tiso_gene_11559]]
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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* [[Tiso_gene_5008]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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** [[pantograph]]-[[athaliana]]
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** [[pantograph]]-[[athaliana]]
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** [[pantograph]]-[[synechocystis]]
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== Pathways  ==
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* [[P124-PWY]], Bifidobacterium shunt: [http://metacyc.org/META/NEW-IMAGE?object=P124-PWY P124-PWY]
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** '''11''' reactions found over '''15''' reactions in the full pathway
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* [[CALVIN-PWY]], Calvin-Benson-Bassham cycle: [http://metacyc.org/META/NEW-IMAGE?object=CALVIN-PWY CALVIN-PWY]
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** '''13''' reactions found over '''13''' reactions in the full pathway
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* [[P21-PWY]], pentose phosphate pathway (partial): [http://metacyc.org/META/NEW-IMAGE?object=P21-PWY P21-PWY]
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** '''3''' reactions found over '''3''' reactions in the full pathway
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* [[PWY-5723]], Rubisco shunt: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5723 PWY-5723]
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** '''10''' reactions found over '''10''' reactions in the full pathway
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* [[PWY-1861]], formaldehyde assimilation II (RuMP Cycle): [http://metacyc.org/META/NEW-IMAGE?object=PWY-1861 PWY-1861]
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** '''7''' reactions found over '''9''' reactions in the full pathway
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* [[P185-PWY]], formaldehyde assimilation III (dihydroxyacetone cycle): [http://metacyc.org/META/NEW-IMAGE?object=P185-PWY P185-PWY]
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** '''11''' reactions found over '''12''' reactions in the full pathway
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* [[NONOXIPENT-PWY]], pentose phosphate pathway (non-oxidative branch): [http://metacyc.org/META/NEW-IMAGE?object=NONOXIPENT-PWY NONOXIPENT-PWY]
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** '''5''' reactions found over '''5''' 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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*** [[synechocystis]]
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*** [[athaliana]]
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* [[manual]]:
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** [[primary_network]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* DRUGBANK : DB01412
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10508 10508]
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* PUBCHEM:
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* LIGAND-RXN:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
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** [http://www.genome.jp/dbget-bin/www_bget?R01641 R01641]
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* HMDB : HMDB02825
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* UNIPROT:
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P29401 P29401]
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** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
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** [http://www.uniprot.org/uniprot/P33570 P33570]
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* CHEMSPIDER:
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** [http://www.uniprot.org/uniprot/P21725 P21725]
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** [http://www.chemspider.com/Chemical-Structure.5236.html 5236]
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** [http://www.uniprot.org/uniprot/Q58094 Q58094]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/Q9JTR1 Q9JTR1]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28946 28946]
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** [http://www.uniprot.org/uniprot/Q9CF56 Q9CF56]
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* METABOLIGHTS : MTBLC28946
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** [http://www.uniprot.org/uniprot/P21726 P21726]
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{{#set: smiles=CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))}}
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** [http://www.uniprot.org/uniprot/P47312 P47312]
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{{#set: common name=theobromine}}
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** [http://www.uniprot.org/uniprot/Q9PM31 Q9PM31]
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{{#set: inchi key=InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N}}
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** [http://www.uniprot.org/uniprot/P43757 P43757]
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{{#set: molecular weight=180.166    }}
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** [http://www.uniprot.org/uniprot/Q58092 Q58092]
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{{#set: common name=3,7-dimethylxanthine}}
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** [http://www.uniprot.org/uniprot/P45694 P45694]
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{{#set: consumed by=RXN-11519}}
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** [http://www.uniprot.org/uniprot/Q52723 Q52723]
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** [http://www.uniprot.org/uniprot/Q9Z475 Q9Z475]
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** [http://www.uniprot.org/uniprot/P34736 P34736]
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** [http://www.uniprot.org/uniprot/P33315 P33315]
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** [http://www.uniprot.org/uniprot/Q42675 Q42675]
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** [http://www.uniprot.org/uniprot/Q42676 Q42676]
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** [http://www.uniprot.org/uniprot/Q42677 Q42677]
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** [http://www.uniprot.org/uniprot/P46708 P46708]
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** [http://www.uniprot.org/uniprot/P75611 P75611]
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** [http://www.uniprot.org/uniprot/P73282 P73282]
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** [http://www.uniprot.org/uniprot/Q49047 Q49047]
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** [http://www.uniprot.org/uniprot/O20250 O20250]
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** [http://www.uniprot.org/uniprot/O78327 O78327]
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** [http://www.uniprot.org/uniprot/Q9URM2 Q9URM2]
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** [http://www.uniprot.org/uniprot/Q9RFB7 Q9RFB7]
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** [http://www.uniprot.org/uniprot/P23254 P23254]
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** [http://www.uniprot.org/uniprot/P27302 P27302]
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** [http://www.uniprot.org/uniprot/P29277 P29277]
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** [http://www.uniprot.org/uniprot/P22976 P22976]
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=transketolase}}
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{{#set: ec number=EC-2.2.1.1}}
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{{#set: gene associated=Tiso_gene_11559|Tiso_gene_5008}}
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{{#set: in pathway=P124-PWY|CALVIN-PWY|P21-PWY|PWY-5723|PWY-1861|P185-PWY|NONOXIPENT-PWY}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=synechocystis|athaliana}}
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{{#set: reconstruction category=manual}}
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{{#set: reconstruction source=primary_network}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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Latest revision as of 19:54, 21 March 2018

Metabolite 3-7-DIMETHYLXANTHINE

  • smiles:
    • CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
  • common name:
    • theobromine
  • inchi key:
    • InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
  • molecular weight:
    • 180.166
  • Synonym(s):
    • 3,7-dimethylxanthine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • DRUGBANK : DB01412
  • PUBCHEM:
  • HMDB : HMDB02825
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC28946




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