Difference between revisions of "CPD-101"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=FUMHYDR-RXN FUMHYDR-RXN] == * direction: ** REVERSIBLE * common name: ** pol-related * ec number: *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] == * smiles: ** C1(OCCCCC1)=O * common name: ** ε-caprolactone * inchi...")
 
(3 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=FUMHYDR-RXN FUMHYDR-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-101 CPD-101] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** C1(OCCCCC1)=O
 
* common name:
 
* common name:
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** pol-related
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** ε-caprolactone
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/4.2.1.2 EC-4.2.1.2]
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** InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N
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* molecular weight:
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** 114.144   
 
* Synonym(s):
 
* Synonym(s):
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** fumarate hydration
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** 1-oxa-2-oxocycloheptane
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** malate dehydration
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** 6-hexanolide
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** hexano-6-lactone
  
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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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== Reaction(s) known to produce the compound ==
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** 1 [[MAL]][c] '''<=>''' 1 [[FUM]][c] '''+''' 1 [[WATER]][c]
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* [[CYCLOHEXANONE-MONOOXYGENASE-RXN]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 (S)-malate[c] '''<=>''' 1 fumarate[c] '''+''' 1 H2O[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_3691]]
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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]]-[[esiliculosus]]
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** [[pantograph]]-[[creinhardtii]]
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* [[Tiso_gene_6720]]
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** [[pantograph]]-[[athaliana]]
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** [[pantograph]]-[[creinhardtii]]
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== Pathways  ==
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* [[PWY-561]], superpathway of glyoxylate cycle and fatty acid degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-561 PWY-561]
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** '''5''' reactions found over '''8''' reactions in the full pathway
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* [[PWY-5913]], partial TCA cycle (obligate autotrophs): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5913 PWY-5913]
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** '''9''' reactions found over '''11''' reactions in the full pathway
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* [[P42-PWY]], incomplete reductive TCA cycle: [http://metacyc.org/META/NEW-IMAGE?object=P42-PWY P42-PWY]
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** '''4''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-5690]], TCA cycle II (plants and fungi): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5690 PWY-5690]
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** '''6''' reactions found over '''9''' reactions in the full pathway
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* [[PWY-7384]], anaerobic energy metabolism (invertebrates, mitochondrial): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7384 PWY-7384]
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** '''7''' reactions found over '''12''' reactions in the full pathway
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* [[PWY-5392]], reductive TCA cycle II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5392 PWY-5392]
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** '''5''' reactions found over '''12''' reactions in the full pathway
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* [[P23-PWY]], reductive TCA cycle I: [http://metacyc.org/META/NEW-IMAGE?object=P23-PWY P23-PWY]
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** '''7''' reactions found over '''12''' reactions in the full pathway
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* [[P105-PWY]], TCA cycle IV (2-oxoglutarate decarboxylase): [http://metacyc.org/META/NEW-IMAGE?object=P105-PWY P105-PWY]
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** '''9''' reactions found over '''11''' reactions in the full pathway
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* [[FERMENTATION-PWY]], mixed acid fermentation: [http://metacyc.org/META/NEW-IMAGE?object=FERMENTATION-PWY FERMENTATION-PWY]
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** '''9''' reactions found over '''16''' reactions in the full pathway
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* [[PWY-6728]], methylaspartate cycle: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6728 PWY-6728]
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** '''11''' reactions found over '''18''' reactions in the full pathway
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* [[REDCITCYC]], TCA cycle VIII (helicobacter): [http://metacyc.org/META/NEW-IMAGE?object=REDCITCYC REDCITCYC]
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** '''6''' reactions found over '''9''' reactions in the full pathway
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* [[PWY-7254]], TCA cycle VII (acetate-producers): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7254 PWY-7254]
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** '''5''' reactions found over '''9''' reactions in the full pathway
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* [[P108-PWY]], pyruvate fermentation to propanoate I: [http://metacyc.org/META/NEW-IMAGE?object=P108-PWY P108-PWY]
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** '''3''' reactions found over '''7''' reactions in the full pathway
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* [[TCA]], TCA cycle I (prokaryotic): [http://metacyc.org/META/NEW-IMAGE?object=TCA TCA]
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** '''7''' reactions found over '''10''' reactions in the full pathway
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* [[PWY66-398]], TCA cycle III (animals): [http://metacyc.org/META/NEW-IMAGE?object=PWY66-398 PWY66-398]
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** '''10''' reactions found over '''11''' reactions in the full pathway
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* [[PWY-6969]], TCA cycle V (2-oxoglutarate:ferredoxin oxidoreductase): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6969 PWY-6969]
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** '''9''' reactions found over '''12''' 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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*** [[creinhardtii]]
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*** [[athaliana]]
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*** [[esiliculosus]]
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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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* CAS : 502-44-3
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=12460 12460]
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* PUBCHEM:
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* PIR:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=10401 10401]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A47692 A47692]
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* HMDB : HMDB60476
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A49760 A49760]
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* LIGAND-CPD:
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A64377 A64377]
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** [http://www.genome.jp/dbget-bin/www_bget?C01880 C01880]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A81281 A81281]
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* CHEMSPIDER:
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A81807 A81807]
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** [http://www.chemspider.com/Chemical-Structure.9972.html 9972]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=B44511 B44511]
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* CHEBI:
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=B81862 B81862]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17915 17915]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=E64461 E64461]
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{{#set: smiles=C1(OCCCCC1)=O}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=E64685 E64685]
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{{#set: common name=&epsilon;-caprolactone}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=H70896 H70896]
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{{#set: inchi key=InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=H71462 H71462]
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{{#set: molecular weight=114.144    }}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=JC4293 JC4293]
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{{#set: common name=1-oxa-2-oxocycloheptane|6-hexanolide|hexano-6-lactone}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=JC4982 JC4982]
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{{#set: produced by=CYCLOHEXANONE-MONOOXYGENASE-RXN}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=PA0062 PA0062]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S40448 S40448]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S76348 S76348]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T00433 T00433]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T07374 T07374]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T41265 T41265]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T43727 T43727]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T45269 T45269]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=UFBSC8 UFBSC8]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=UFBYM UFBYM]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=UFEC UFEC]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=UFECAQ UFECAQ]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=UFHUM UFHUM]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=UFPG UFPG]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=UFRT UFRT]
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* LIGAND-RXN:
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** [http://www.genome.jp/dbget-bin/www_bget?R01082 R01082]
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* UNIPROT:
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** [http://www.uniprot.org/uniprot/Q04718 Q04718]
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** [http://www.uniprot.org/uniprot/Q58034 Q58034]
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** [http://www.uniprot.org/uniprot/O69294 O69294]
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** [http://www.uniprot.org/uniprot/Q9JTE3 Q9JTE3]
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** [http://www.uniprot.org/uniprot/P14407 P14407]
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** [http://www.uniprot.org/uniprot/Q9JTR0 Q9JTR0]
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** [http://www.uniprot.org/uniprot/Q58690 Q58690]
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** [http://www.uniprot.org/uniprot/O25883 O25883]
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** [http://www.uniprot.org/uniprot/O53446 O53446]
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** [http://www.uniprot.org/uniprot/O84863 O84863]
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** [http://www.uniprot.org/uniprot/Q51404 Q51404]
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** [http://www.uniprot.org/uniprot/Q7M4Z3 Q7M4Z3]
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** [http://www.uniprot.org/uniprot/P39461 P39461]
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** [http://www.uniprot.org/uniprot/Q55674 Q55674]
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** [http://www.uniprot.org/uniprot/P93033 P93033]
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** [http://www.uniprot.org/uniprot/Q43180 Q43180]
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** [http://www.uniprot.org/uniprot/O94552 O94552]
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** [http://www.uniprot.org/uniprot/O66271 O66271]
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** [http://www.uniprot.org/uniprot/Q60022 Q60022]
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** [http://www.uniprot.org/uniprot/P07343 P07343]
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** [http://www.uniprot.org/uniprot/P08417 P08417]
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** [http://www.uniprot.org/uniprot/P05042 P05042]
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** [http://www.uniprot.org/uniprot/P0AC33 P0AC33]
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** [http://www.uniprot.org/uniprot/P10173 P10173]
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** [http://www.uniprot.org/uniprot/P14408 P14408]
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=pol-related}}
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{{#set: ec number=EC-4.2.1.2}}
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{{#set: common name=fumarate hydration|malate dehydration}}
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{{#set: gene associated=Tiso_gene_3691|Tiso_gene_6720}}
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{{#set: in pathway=PWY-561|PWY-5913|P42-PWY|PWY-5690|PWY-7384|PWY-5392|P23-PWY|P105-PWY|FERMENTATION-PWY|PWY-6728|REDCITCYC|PWY-7254|P108-PWY|TCA|PWY66-398|PWY-6969}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=creinhardtii|athaliana|esiliculosus}}
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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 19:46, 21 March 2018

Metabolite CPD-101

  • smiles:
    • C1(OCCCCC1)=O
  • common name:
    • ε-caprolactone
  • inchi key:
    • InChIKey=PAPBSGBWRJIAAV-UHFFFAOYSA-N
  • molecular weight:
    • 114.144
  • Synonym(s):
    • 1-oxa-2-oxocycloheptane
    • 6-hexanolide
    • hexano-6-lactone

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/tisogem/index.php?title=CPD-101&oldid=43635"