Difference between revisions of "BUTYRYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRYL-COA BUTYRYL-COA] == * smiles: ** CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC...")
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CCCC(=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-]
 
** CCCC(=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-]
 +
* molecular weight:
 +
** 833.593   
 
* inchi key:
 
* inchi key:
 
** InChIKey=CRFNGMNYKDXRTN-HDRJHVAISA-J
 
** InChIKey=CRFNGMNYKDXRTN-HDRJHVAISA-J
 
* common name:
 
* common name:
 
** butanoyl-CoA
 
** butanoyl-CoA
* molecular weight:
 
** 833.593   
 
 
* Synonym(s):
 
* Synonym(s):
 
** butyryl-CoA
 
** butyryl-CoA
Line 20: Line 20:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
* [[BUTANAL-DEHYDROGENASE-RXN]]
 
* [[BUTANAL-DEHYDROGENASE-RXN]]
* [[BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NADP//BUTYRYL-COA/NADPH/PROTON.44.]]
 
 
* [[ISOBUTYRYL-COA-MUTASE-RXN]]
 
* [[ISOBUTYRYL-COA-MUTASE-RXN]]
 
* [[BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NAD//BUTYRYL-COA/NADH/PROTON.42.]]
 
* [[BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NAD//BUTYRYL-COA/NADH/PROTON.42.]]
 +
* [[BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NADP//BUTYRYL-COA/NADPH/PROTON.44.]]
 
== External links  ==
 
== External links  ==
* UM-BBD-CPD : c0023
 
* CAS : 2140-48-9
 
 
* METABOLIGHTS : MTBLC57371
 
* METABOLIGHTS : MTBLC57371
* PUBCHEM:
+
* BIGG : btcoa
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244513 25244513]
+
* CAS : 2140-48-9
 +
* UM-BBD-CPD : c0023
 
* HMDB : HMDB01088
 
* HMDB : HMDB01088
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C00136 C00136]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57371 57371]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57371 57371]
* BIGG : btcoa
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00136 C00136]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244513 25244513]
 
{{#set: smiles=CCCC(=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-]}}
 
{{#set: smiles=CCCC(=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-]}}
 +
{{#set: molecular weight=833.593    }}
 
{{#set: inchi key=InChIKey=CRFNGMNYKDXRTN-HDRJHVAISA-J}}
 
{{#set: inchi key=InChIKey=CRFNGMNYKDXRTN-HDRJHVAISA-J}}
 
{{#set: common name=butanoyl-CoA}}
 
{{#set: common name=butanoyl-CoA}}
{{#set: molecular weight=833.593    }}
 
 
{{#set: common name=butyryl-CoA|butyryl-coenzyme A}}
 
{{#set: common name=butyryl-CoA|butyryl-coenzyme A}}
 
{{#set: consumed by=RXN-12565}}
 
{{#set: consumed by=RXN-12565}}
 
{{#set: produced by=RXN-11726|RXN-12558}}
 
{{#set: produced by=RXN-11726|RXN-12558}}
{{#set: reversible reaction associated=BUTANAL-DEHYDROGENASE-RXN|BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NADP//BUTYRYL-COA/NADPH/PROTON.44.|ISOBUTYRYL-COA-MUTASE-RXN|BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NAD//BUTYRYL-COA/NADH/PROTON.42.}}
+
{{#set: reversible reaction associated=BUTANAL-DEHYDROGENASE-RXN|ISOBUTYRYL-COA-MUTASE-RXN|BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NAD//BUTYRYL-COA/NADH/PROTON.42.|BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NADP//BUTYRYL-COA/NADPH/PROTON.44.}}

Latest revision as of 16:36, 9 January 2019

Metabolite BUTYRYL-COA

  • smiles:
    • CCCC(=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-]
  • molecular weight:
    • 833.593
  • inchi key:
    • InChIKey=CRFNGMNYKDXRTN-HDRJHVAISA-J
  • common name:
    • butanoyl-CoA
  • Synonym(s):
    • butyryl-CoA
    • butyryl-coenzyme A

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC57371
  • BIGG : btcoa
  • CAS : 2140-48-9
  • UM-BBD-CPD : c0023
  • HMDB : HMDB01088
  • CHEBI:
  • LIGAND-CPD:
  • PUBCHEM:
"CCCC(=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.