Difference between revisions of "CPD-19159"

From metabolic_network
Jump to: navigation, search
(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-4578 CPD-4578] == * smiles: ** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC...")
Line 1: Line 1:
−
[[Category:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ACONITATEDEHYDR-RXN ACONITATEDEHYDR-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4578 CPD-4578] ==
−
* direction:
+
* smiles:
−
** REVERSIBLE
+
** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))
 +
* inchi key:
 +
** InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N
 
* common name:
 
* common name:
−
** Aconitate hydratase,
+
** 3-dehydro-4-methylzymosterol
−
** Aconitase/3-isopropylmalate dehydratase, swivel
+
* molecular weight:
 +
** 396.655   
 
* Synonym(s):
 
* Synonym(s):
 +
** 4α-methyl-5α-cholesta-8,24-dien-3-one
 +
** 3-keto-4-methylzymosterol
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
== Reaction(s) known to produce the compound ==
−
** 1 [[CIT]][c] '''<=>''' 1 [[CIS-ACONITATE]][c] '''+''' 1 [[WATER]][c]
+
* [[RXN66-313]]
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 citrate[c] '''<=>''' 1 cis-aconitate[c] '''+''' 1 H2O[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[Ec-12_000170]]
+
−
** ESILICULOSUS_GENOME
+
−
***AUTOMATED-NAME-MATCH
+
−
* [[Ec-16_001000]]
+
−
** ESILICULOSUS_GENOME
+
−
***EC-NUMBER
+
−
== Pathways  ==
+
−
* [[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
+
−
* [[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
+
−
* [[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
+
−
* [[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
+
−
* [[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
+
−
* [[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-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
+
−
* [[TCA]], TCA cycle I (prokaryotic): [http://metacyc.org/META/NEW-IMAGE?object=TCA TCA]
+
−
** '''9''' reactions found over '''10''' 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-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
+
−
== Reconstruction information  ==
+
−
* [[annotation]]:
+
−
** [[pathwaytools]]:
+
−
*** [[esiliculosus_genome]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* LIGAND-CPD:
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10228 10228]
+
** [http://www.genome.jp/dbget-bin/www_bget?C15816 C15816]
−
* PIR:
+
* CHEBI:
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A35544 A35544]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50593 50593]
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A44153 A44153]
+
* METABOLIGHTS : MTBLC50593
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A44154 A44154]
+
* PUBCHEM:
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A47184 A47184]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22298939 22298939]
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=A81801 A81801]
+
* HMDB : HMDB06838
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=B48642 B48642]
+
{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))}}
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C64362 C64362]
+
{{#set: inchi key=InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N}}
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C64617 C64617]
+
{{#set: common name=3-dehydro-4-methylzymosterol}}
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=C81356 C81356]
+
{{#set: molecular weight=396.655    }}
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=F64734 F64734]
+
{{#set: common name=4&alpha;-methyl-5&alpha;-cholesta-8,24-dien-3-one|3-keto-4-methylzymosterol}}
−
** [http://pir.georgetown.edu/cgi-bin/nbrfget?uid=F70873 F70873]
+
{{#set: produced by=RXN66-313}}
−
** [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-12_000170|Ec-16_001000}}
+
−
{{#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}}
+
−
{{#set: reconstruction category=annotation}}
+
−
{{#set: reconstruction tool=pathwaytools}}
+
−
{{#set: reconstruction source=esiliculosus_genome}}
+

Revision as of 23:00, 17 March 2018

Metabolite CPD-4578

  • smiles:
    • CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))
  • inchi key:
    • InChIKey=DBPZYKHQDWKORQ-SINUOACOSA-N
  • common name:
    • 3-dehydro-4-methylzymosterol
  • molecular weight:
    • 396.655
  • Synonym(s):
    • 4α-methyl-5α-cholesta-8,24-dien-3-one
    • 3-keto-4-methylzymosterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC50593
  • PUBCHEM:
  • HMDB : HMDB06838
"CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-19159&oldid=15429"