Difference between revisions of "CPD-514"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=PROPIONYL-COA-CARBOXY-RXN PROPIONYL-COA-CARBOXY-RXN] == * direction: ** REVERSIBLE * ec number: **...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP...")
 
(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=PROPIONYL-COA-CARBOXY-RXN PROPIONYL-COA-CARBOXY-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] ==
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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)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/6.4.1.3 EC-6.4.1.3]
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** 3-oxo-3-phenylpropanoyl-CoA
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* inchi key:
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** InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
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* molecular weight:
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** 909.648   
 
* Synonym(s):
 
* Synonym(s):
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** benzoyl-acetyl-CoA
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** oxocinnamoyl-CoA
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** 3-keto-3-phenylpropionyl-CoA
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** β-oxophenyl-propionyl-CoA
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** 3-oxo-3-phenylpropionyl-coenzyme A
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** 3-oxo-3-phenylpropionyl-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-2006]]
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** 1 [[PROPIONYL-COA]][c] '''+''' 1 [[HCO3]][c] '''+''' 1 [[ATP]][c] '''<=>''' 1 [[ADP]][c] '''+''' 1 [[D-METHYL-MALONYL-COA]][c] '''+''' 1 [[Pi]][c] '''+''' 1 [[PROTON]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 propanoyl-CoA[c] '''+''' 1 hydrogencarbonate[c] '''+''' 1 ATP[c] '''<=>''' 1 ADP[c] '''+''' 1 (S)-methylmalonyl-CoA[c] '''+''' 1 phosphate[c] '''+''' 1 H+[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_5029]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-5743]], 3-hydroxypropanoate cycle: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5743 PWY-5743]
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** '''4''' reactions found over '''11''' 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-5789]], 3-hydroxypropanoate/4-hydroxybutanate cycle: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5789 PWY-5789]
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** '''8''' reactions found over '''16''' reactions in the full pathway
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* [[PROPIONMET-PWY]], propanoyl CoA degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PROPIONMET-PWY PROPIONMET-PWY]
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** '''2''' reactions found over '''3''' 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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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[esiliculosus]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* LIGAND-CPD:
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=23720 23720]
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** [http://www.genome.jp/dbget-bin/www_bget?C07118 C07118]
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* LIGAND-RXN:
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* CHEBI:
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** [http://www.genome.jp/dbget-bin/www_bget?R01859 R01859]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27388 27388]
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* UNIPROT:
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* METABOLIGHTS : MTBLC27388
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** [http://www.uniprot.org/uniprot/Q96CX0 Q96CX0]
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* PUBCHEM:
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** [http://www.uniprot.org/uniprot/P07633 P07633]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203310 25203310]
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** [http://www.uniprot.org/uniprot/P05165 P05165]
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
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** [http://www.uniprot.org/uniprot/Q06101 Q06101]
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{{#set: common name=3-oxo-3-phenylpropanoyl-CoA}}
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** [http://www.uniprot.org/uniprot/Q20676 Q20676]
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{{#set: inchi key=InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J}}
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** [http://www.uniprot.org/uniprot/O24789 O24789]
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{{#set: molecular weight=909.648    }}
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=benzoyl-acetyl-CoA|oxocinnamoyl-CoA|3-keto-3-phenylpropionyl-CoA|&beta;-oxophenyl-propionyl-CoA|3-oxo-3-phenylpropionyl-coenzyme A|3-oxo-3-phenylpropionyl-CoA}}
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{{#set: ec number=EC-6.4.1.3}}
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{{#set: consumed by=RXN-2006}}
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{{#set: gene associated=Tiso_gene_5029}}
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{{#set: in pathway=PWY-5743|PWY-7384|PWY-5789|PROPIONMET-PWY|PWY-6728}}
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{{#set: reconstruction category=orthology}}
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{{#set: reconstruction tool=pantograph}}
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{{#set: reconstruction source=esiliculosus}}
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Latest revision as of 20:06, 21 March 2018

Metabolite CPD-514

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • common name:
    • 3-oxo-3-phenylpropanoyl-CoA
  • inchi key:
    • InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
  • molecular weight:
    • 909.648
  • Synonym(s):
    • benzoyl-acetyl-CoA
    • oxocinnamoyl-CoA
    • 3-keto-3-phenylpropionyl-CoA
    • β-oxophenyl-propionyl-CoA
    • 3-oxo-3-phenylpropionyl-coenzyme A
    • 3-oxo-3-phenylpropionyl-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)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.



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