Difference between revisions of "CPD-17621"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=TIGLYLCOA-HYDROXY-RXN TIGLYLCOA-HYDROXY-RXN] == * direction: ** REVERSIBLE * common name: ** Tiglyl...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)COP(=O)(O...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=TIGLYLCOA-HYDROXY-RXN TIGLYLCOA-HYDROXY-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17621 CPD-17621] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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=ROZGNNDROQHXPF-BBECNAHFSA-J
 
* common name:
 
* common name:
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** Tiglyl-CoA hydratase
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** 16-hydroxypalmitoyl-CoA
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** enoyl-Coenzyme A hydratase/3-hydroxyacyl Coenzyme A dehydrogenase
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* molecular weight:
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** Beta-hydroxydecanoyl thiol ester dehydrase, FabA/FabZ
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** 1017.914   
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** ClpP/crotonase-like domain
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* ec number:
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** [http://enzyme.expasy.org/EC/4.2.1.17 EC-4.2.1.17]
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* Synonym(s):
 
* Synonym(s):
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** ω-hydroxy-hexadecanoyl-coenzyme A
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** ω-hydroxypalmitoyl-CoA
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** 16-hydroxy-hexadecanoyl-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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== Reaction(s) known to produce the compound ==
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** 1 [[2-METHYL-3-HYDROXY-BUTYRYL-COA]][c] '''<=>''' 1 [[CPD-1083]][c] '''+''' 1 [[WATER]][c]
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* [[RXN-16389]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA[c] '''<=>''' 1 (E)-2-methylcrotonoyl-CoA[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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* Gene: [[Ec-16_003560]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: EC-NUMBER
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* Gene: [[Ec-16_001250]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: EC-NUMBER
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* Gene: [[Ec-06_001380]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: EC-NUMBER
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* Gene: [[Ec-14_006530]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: AUTOMATED-NAME-MATCH
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** Source: [[orthology-aragem]]
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* Gene: [[Ec-17_000320]]
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** Source: [[orthology-aragem]]
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== Pathways  ==
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* [[PWY-5109]], 2-methylbutanoate biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5109 PWY-5109]
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** '''4''' reactions found over '''6''' reactions in the full pathway
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* [[ILEUDEG-PWY]], L-isoleucine degradation I: [http://metacyc.org/META/NEW-IMAGE?object=ILEUDEG-PWY ILEUDEG-PWY]
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** '''6''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-aragem]]
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*** Tool: [[pantograph]]
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* Category: [[annotation]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* PUBCHEM:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=31119 31119]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86583440 86583440]
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* LIGAND-RXN:
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* CHEBI:
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** [http://www.genome.jp/dbget-bin/www_bget?R04204 R04204]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84207 84207]
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{{#set: direction=REVERSIBLE}}
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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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{{#set: common name=Tiglyl-CoA hydratase}}
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{{#set: inchi key=InChIKey=ROZGNNDROQHXPF-BBECNAHFSA-J}}
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{{#set: common name=enoyl-Coenzyme A hydratase/3-hydroxyacyl Coenzyme A dehydrogenase}}
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{{#set: common name=16-hydroxypalmitoyl-CoA}}
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{{#set: common name=Beta-hydroxydecanoyl thiol ester dehydrase, FabA/FabZ}}
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{{#set: molecular weight=1017.914    }}
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{{#set: common name=ClpP/crotonase-like domain}}
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{{#set: common name=&omega;-hydroxy-hexadecanoyl-coenzyme A|&omega;-hydroxypalmitoyl-CoA|16-hydroxy-hexadecanoyl-CoA}}
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{{#set: ec number=EC-4.2.1.17}}
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{{#set: produced by=RXN-16389}}
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{{#set: gene associated=Ec-16_003560|Ec-16_001250|Ec-06_001380|Ec-14_006530|Ec-17_000320}}
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{{#set: in pathway=PWY-5109|ILEUDEG-PWY}}
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{{#set: reconstruction category=orthology|annotation}}
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{{#set: reconstruction source=annotation-esiliculosus_genome|orthology-aragem}}
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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Latest revision as of 19:55, 21 March 2018

Metabolite CPD-17621

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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=ROZGNNDROQHXPF-BBECNAHFSA-J
  • common name:
    • 16-hydroxypalmitoyl-CoA
  • molecular weight:
    • 1017.914
  • Synonym(s):
    • ω-hydroxy-hexadecanoyl-coenzyme A
    • ω-hydroxypalmitoyl-CoA
    • 16-hydroxy-hexadecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)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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