Difference between revisions of "CPD-19159"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ACONITATEDEHYDR-RXN ACONITATEDEHYDR-RXN] == * direction: ** REVERSIBLE * common name: ** Aconitate...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19159 CPD-19159] == * smiles: ** CCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
 
(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=ACONITATEDEHYDR-RXN ACONITATEDEHYDR-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19159 CPD-19159] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
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* inchi key:
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** InChIKey=SCDXBWNPJAGEEK-KBOAXVDLSA-J
 
* common name:
 
* common name:
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** Aconitate hydratase,
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** (S)-3-hydroxy-(11Z)-octadecenoyl-CoA
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** Aconitase/3-isopropylmalate dehydratase, swivel
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* molecular weight:
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** 1043.952   
 
* Synonym(s):
 
* Synonym(s):
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** (S)-3-hydroxy-18:1-Δ11-CoA
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** (S)-3-hydroxy-11-cis-octadecenoyl-CoA
  
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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-17786]]
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** 1 [[CIT]][c] '''<=>''' 1 [[CIS-ACONITATE]][c] '''+''' 1 [[WATER]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[RXN-17785]]
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** 1 citrate[c] '''<=>''' 1 cis-aconitate[c] '''+''' 1 H2O[c]
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== Reaction(s) of unknown directionality ==
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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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* [[Ec-12_000170]]
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** ESILICULOSUS_GENOME
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***AUTOMATED-NAME-MATCH
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* [[Ec-16_001000]]
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** ESILICULOSUS_GENOME
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-5750]], itaconate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5750 PWY-5750]
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** '''3''' reactions found over '''4''' 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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** '''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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** '''10''' reactions found over '''12''' 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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** '''5''' reactions found over '''9''' 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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** '''6''' 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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** '''10''' reactions found over '''12''' reactions in the full pathway
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* [[PWY-7124]], ethylene biosynthesis V (engineered): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7124 PWY-7124]
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** '''8''' reactions found over '''10''' 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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* [[GLYOXYLATE-BYPASS]], glyoxylate cycle: [http://metacyc.org/META/NEW-IMAGE?object=GLYOXYLATE-BYPASS GLYOXYLATE-BYPASS]
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** '''6''' reactions found over '''6''' 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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** '''8''' 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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* [[PWY-6549]], L-glutamine biosynthesis III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6549 PWY-6549]
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** '''8''' 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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** '''7''' reactions found over '''9''' 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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** '''9''' 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-5690]], TCA cycle II (plants and fungi): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5690 PWY-5690]
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** '''8''' reactions found over '''9''' reactions in the full pathway
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[esiliculosus_genome]]
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== External links  ==
 
== External links  ==
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* RHEA:
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{{#set: smiles=CCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10228 10228]
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{{#set: inchi key=InChIKey=SCDXBWNPJAGEEK-KBOAXVDLSA-J}}
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* PIR:
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{{#set: common name=(S)-3-hydroxy-(11Z)-octadecenoyl-CoA}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A35544 A35544]
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{{#set: molecular weight=1043.952    }}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A44153 A44153]
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{{#set: common name=(S)-3-hydroxy-18:1-&Delta;11-CoA|(S)-3-hydroxy-11-cis-octadecenoyl-CoA}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A44154 A44154]
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{{#set: consumed by=RXN-17786}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A47184 A47184]
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{{#set: produced by=RXN-17785}}
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A81801 A81801]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=B48642 B48642]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C64362 C64362]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C64617 C64617]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C81356 C81356]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=F64734 F64734]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=F70873 F70873]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=G64875 G64875]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=G69599 G69599]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=G86708 G86708]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=H81775 H81775]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S17526 S17526]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S18720 S18720]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S26403 S26403]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S49849 S49849]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S50387 S50387]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S57528 S57528]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S57805 S57805]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=S76777 S76777]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T04693 T04693]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T04820 T04820]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T07611 T07611]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T10101 T10101]
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** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=T52543 T52543]
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* LIGAND-RXN:
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** [http://www.genome.jp/dbget-bin/www_bget?R01325 R01325]
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* UNIPROT:
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** [http://www.uniprot.org/uniprot/P16276 P16276]
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** [http://www.uniprot.org/uniprot/Q01059 Q01059]
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** [http://www.uniprot.org/uniprot/Q9TSA1 Q9TSA1]
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** [http://www.uniprot.org/uniprot/Q9JTI5 Q9JTI5]
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** [http://www.uniprot.org/uniprot/P37032 P37032]
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** [http://www.uniprot.org/uniprot/P81291 P81291]
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** [http://www.uniprot.org/uniprot/Q9PP88 Q9PP88]
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** [http://www.uniprot.org/uniprot/P36683 P36683]
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** [http://www.uniprot.org/uniprot/O53166 O53166]
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** [http://www.uniprot.org/uniprot/P25516 P25516]
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** [http://www.uniprot.org/uniprot/P09339 P09339]
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** [http://www.uniprot.org/uniprot/Q9CHQ5 Q9CHQ5]
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** [http://www.uniprot.org/uniprot/Q9JT05 Q9JT05]
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** [http://www.uniprot.org/uniprot/Q99798 Q99798]
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** [http://www.uniprot.org/uniprot/P28271 P28271]
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** [http://www.uniprot.org/uniprot/P21399 P21399]
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** [http://www.uniprot.org/uniprot/Q42669 Q42669]
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** [http://www.uniprot.org/uniprot/P19414 P19414]
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** [http://www.uniprot.org/uniprot/P20004 P20004]
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** [http://www.uniprot.org/uniprot/P49609 P49609]
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** [http://www.uniprot.org/uniprot/P74582 P74582]
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** [http://www.uniprot.org/uniprot/Q42560 Q42560]
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** [http://www.uniprot.org/uniprot/Q9SZ36 Q9SZ36]
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** [http://www.uniprot.org/uniprot/O04916 O04916]
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=Aconitate hydratase,}}
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{{#set: common name=Aconitase/3-isopropylmalate dehydratase, swivel}}
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{{#set: gene associated=Ec-12_000170|Ec-16_001000}}
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{{#set: in pathway=PWY-5750|PWY-5913|PWY-6969|REDCITCYC|PWY-5392|P23-PWY|PWY-7124|P105-PWY|GLYOXYLATE-BYPASS|FERMENTATION-PWY|PWY-6728|PWY-6549|PWY-7254|TCA|PWY66-398|PWY-5690}}
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{{#set: reconstruction category=annotation}}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: reconstruction source=esiliculosus_genome}}
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Latest revision as of 20:56, 21 March 2018

Metabolite CPD-19159

  • smiles:
    • CCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • inchi key:
    • InChIKey=SCDXBWNPJAGEEK-KBOAXVDLSA-J
  • common name:
    • (S)-3-hydroxy-(11Z)-octadecenoyl-CoA
  • molecular weight:
    • 1043.952
  • Synonym(s):
    • (S)-3-hydroxy-18:1-Δ11-CoA
    • (S)-3-hydroxy-11-cis-octadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.




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