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− | [[Category:Reaction]] | + | [[Category:Metabolite]] |
− | == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ACONITATEDEHYDR-RXN ACONITATEDEHYDR-RXN] == | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-437 CPD1F-437] == |
− | * direction: | + | * smiles: |
− | ** REVERSIBLE | + | ** C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4))) |
| + | * inchi key: |
| + | ** InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-M |
| * common name: | | * common name: |
− | ** Aconitate hydratase, | + | ** quercetin-3-glucoside |
− | ** Aconitase/3-isopropylmalate dehydratase, swivel | + | * molecular weight: |
| + | ** 463.374 |
| * Synonym(s): | | * Synonym(s): |
| + | ** quercetin-3-O-β-D-glucoside |
| + | ** isoquercetin |
| + | ** isoquercitrin |
| + | ** isotrifoliin |
| + | ** glucosyl 3-quercetin |
| | | |
− | == Reaction Formula == | + | == Reaction(s) known to consume the compound == |
− | * With identifiers:
| + | == Reaction(s) known to produce the compound == |
− | ** 1 [[CIT]][c] '''<=>''' 1 [[WATER]][c] '''+''' 1 [[CIS-ACONITATE]][c]
| + | * [[RXN1F-462]] |
− | * With common name(s):
| + | == Reaction(s) of unknown directionality == |
− | ** 1 citrate[c] '''<=>''' 1 H2O[c] '''+''' 1 cis-aconitate[c]
| + | |
− | | + | |
− | == Genes associated with this reaction ==
| + | |
− | Genes have been associated with this reaction based on different elements listed below.
| + | |
− | * [[Ec-16_001000]]
| + | |
− | ** ESILICULOSUS_GENOME
| + | |
− | ***EC-NUMBER
| + | |
− | * [[Ec-12_000170]]
| + | |
− | ** ESILICULOSUS_GENOME
| + | |
− | ***AUTOMATED-NAME-MATCH
| + | |
− | == Pathways ==
| + | |
− | * [[FERMENTATION-PWY]], mixed acid fermentation: [http://metacyc.org/META/NEW-IMAGE?object=FERMENTATION-PWY FERMENTATION-PWY]
| + | |
− | ** '''8''' reactions found over '''16''' reactions in the full pathway
| + | |
− | * [[PWY-5913]], partial TCA cycle (obligate autotrophs): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5913 PWY-5913]
| + | |
− | ** '''10''' reactions found over '''11''' reactions in the full pathway
| + | |
− | * [[PWY-6969]], TCA cycle V (2-oxoglutarate:ferredoxin oxidoreductase): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6969 PWY-6969]
| + | |
− | ** '''10''' reactions found over '''12''' reactions in the full pathway
| + | |
− | * [[PWY-5690]], TCA cycle II (plants and fungi): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5690 PWY-5690]
| + | |
− | ** '''8''' reactions found over '''9''' reactions in the full pathway
| + | |
− | * [[REDCITCYC]], TCA cycle VIII (helicobacter): [http://metacyc.org/META/NEW-IMAGE?object=REDCITCYC REDCITCYC]
| + | |
− | ** '''5''' reactions found over '''9''' reactions in the full pathway
| + | |
− | * [[PWY-5392]], reductive TCA cycle II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5392 PWY-5392]
| + | |
− | ** '''6''' reactions found over '''12''' reactions in the full pathway
| + | |
− | * [[P23-PWY]], reductive TCA cycle I: [http://metacyc.org/META/NEW-IMAGE?object=P23-PWY P23-PWY]
| + | |
− | ** '''10''' reactions found over '''12''' reactions in the full pathway
| + | |
− | * [[P105-PWY]], TCA cycle IV (2-oxoglutarate decarboxylase): [http://metacyc.org/META/NEW-IMAGE?object=P105-PWY P105-PWY]
| + | |
− | ** '''9''' reactions found over '''11''' reactions in the full pathway
| + | |
− | * [[GLYOXYLATE-BYPASS]], glyoxylate cycle: [http://metacyc.org/META/NEW-IMAGE?object=GLYOXYLATE-BYPASS GLYOXYLATE-BYPASS]
| + | |
− | ** '''6''' reactions found over '''6''' reactions in the full pathway
| + | |
− | * [[PWY66-398]], TCA cycle III (animals): [http://metacyc.org/META/NEW-IMAGE?object=PWY66-398 PWY66-398]
| + | |
− | ** '''10''' reactions found over '''11''' reactions in the full pathway
| + | |
− | * [[PWY-6728]], methylaspartate cycle: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6728 PWY-6728] | + | |
− | ** '''11''' reactions found over '''18''' reactions in the full pathway
| + | |
− | * [[PWY-6549]], L-glutamine biosynthesis III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6549 PWY-6549]
| + | |
− | ** '''8''' reactions found over '''9''' reactions in the full pathway
| + | |
− | * [[PWY-7254]], TCA cycle VII (acetate-producers): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7254 PWY-7254]
| + | |
− | ** '''7''' reactions found over '''9''' reactions in the full pathway
| + | |
− | * [[PWY-7124]], ethylene biosynthesis V (engineered): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7124 PWY-7124]
| + | |
− | ** '''8''' reactions found over '''10''' reactions in the full pathway
| + | |
− | * [[PWY-5750]], itaconate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5750 PWY-5750]
| + | |
− | ** '''3''' reactions found over '''4''' reactions in the full pathway
| + | |
− | * [[TCA]], TCA cycle I (prokaryotic): [http://metacyc.org/META/NEW-IMAGE?object=TCA TCA]
| + | |
− | ** '''9''' reactions found over '''10''' reactions in the full pathway
| + | |
− | == Reconstruction information ==
| + | |
− | * Category: [[annotation]]
| + | |
− | ** Source: [[annotation-esiliculosus_genome]]
| + | |
− | *** Tool: [[pathwaytools]]
| + | |
| == External links == | | == External links == |
− | * RHEA: | + | * PUBCHEM: |
− | ** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10228 10228] | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203368 25203368] |
− | * PIR:
| + | * CHEBI: |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A35544 A35544]
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28299 28299] |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A44153 A44153] | + | * LIGAND-CPD: |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A44154 A44154] | + | ** [http://www.genome.jp/dbget-bin/www_bget?C05623 C05623] |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A47184 A47184]
| + | * HMDB : HMDB37362 |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A81801 A81801]
| + | {{#set: smiles=C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))}} |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=B48642 B48642] | + | {{#set: inchi key=InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-M}} |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C64362 C64362]
| + | {{#set: common name=quercetin-3-glucoside}} |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C64617 C64617] | + | {{#set: molecular weight=463.374 }} |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C81356 C81356] | + | {{#set: common name=quercetin-3-O-β-D-glucoside|isoquercetin|isoquercitrin|isotrifoliin|glucosyl 3-quercetin}} |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=F64734 F64734]
| + | {{#set: produced by=RXN1F-462}} |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=F70873 F70873]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=G64875 G64875]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=G69599 G69599]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=G86708 G86708]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=H81775 H81775]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S17526 S17526]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S18720 S18720]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S26403 S26403]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S49849 S49849]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S50387 S50387]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S57528 S57528]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S57805 S57805]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S76777 S76777]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T04693 T04693]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T04820 T04820]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T07611 T07611]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T10101 T10101]
| + | |
− | ** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T52543 T52543]
| + | |
− | * LIGAND-RXN:
| + | |
− | ** [http://www.genome.jp/dbget-bin/www_bget?R01325 R01325]
| + | |
− | * UNIPROT:
| + | |
− | ** [http://www.uniprot.org/uniprot/P16276 P16276]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q01059 Q01059]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9TSA1 Q9TSA1]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9JTI5 Q9JTI5]
| + | |
− | ** [http://www.uniprot.org/uniprot/P37032 P37032]
| + | |
− | ** [http://www.uniprot.org/uniprot/P81291 P81291]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9PP88 Q9PP88]
| + | |
− | ** [http://www.uniprot.org/uniprot/P36683 P36683]
| + | |
− | ** [http://www.uniprot.org/uniprot/O53166 O53166]
| + | |
− | ** [http://www.uniprot.org/uniprot/P25516 P25516]
| + | |
− | ** [http://www.uniprot.org/uniprot/P09339 P09339]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9CHQ5 Q9CHQ5]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9JT05 Q9JT05]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q99798 Q99798]
| + | |
− | ** [http://www.uniprot.org/uniprot/P28271 P28271]
| + | |
− | ** [http://www.uniprot.org/uniprot/P21399 P21399]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q42669 Q42669]
| + | |
− | ** [http://www.uniprot.org/uniprot/P19414 P19414]
| + | |
− | ** [http://www.uniprot.org/uniprot/P20004 P20004]
| + | |
− | ** [http://www.uniprot.org/uniprot/P49609 P49609]
| + | |
− | ** [http://www.uniprot.org/uniprot/P74582 P74582]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q42560 Q42560]
| + | |
− | ** [http://www.uniprot.org/uniprot/Q9SZ36 Q9SZ36]
| + | |
− | ** [http://www.uniprot.org/uniprot/O04916 O04916]
| + | |
− | {{#set: direction=REVERSIBLE}}
| + | |
− | {{#set: common name=Aconitate hydratase,}} | + | |
− | {{#set: common name=Aconitase/3-isopropylmalate dehydratase, swivel}} | + | |
− | {{#set: gene associated=Ec-16_001000|Ec-12_000170}} | + | |
− | {{#set: in pathway=FERMENTATION-PWY|PWY-5913|PWY-6969|PWY-5690|REDCITCYC|PWY-5392|P23-PWY|P105-PWY|GLYOXYLATE-BYPASS|PWY66-398|PWY-6728|PWY-6549|PWY-7254|PWY-7124|PWY-5750|TCA}} | + | |
− | {{#set: reconstruction category=annotation}} | + | |
− | {{#set: reconstruction source=annotation-esiliculosus_genome}}
| + | |
− | {{#set: reconstruction tool=pathwaytools}}
| + | |