Difference between revisions of "ACETOACETYL-COA"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-13297 RXN-13297] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] == * smiles: ** CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-13297 RXN-13297] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] ==
* direction:
+
* smiles:
** LEFT-TO-RIGHT
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** CC(=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-]
* ec number:
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* common name:
** [http://enzyme.expasy.org/EC/2.3.1.199 EC-2.3.1.199]
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** acetoacetyl-CoA
 +
* inchi key:
 +
** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
 +
* molecular weight:
 +
** 847.577   
 
* Synonym(s):
 
* Synonym(s):
 +
** 3-acetoacetyl-CoA
 +
** acetoacetyl-S-CoA
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
** 1 [[PROTON]][c] '''+''' 1 [[CPD-10279]][c] '''+''' 1 [[MALONYL-COA]][c] '''=>''' 1 [[CPD-14273]][c] '''+''' 1 [[CO-A]][c] '''+''' 1 [[CARBON-DIOXIDE]][c]
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* [[RXN-5901]]
* With common name(s):
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== Reaction(s) known to produce the compound ==
** 1 H+[c] '''+''' 1 docosanoyl-CoA[c] '''+''' 1 malonyl-CoA[c] '''=>''' 1 3-oxo-lignoceroyl-CoA[c] '''+''' 1 coenzyme A[c] '''+''' 1 CO2[c]
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* [[ACACT]]
 
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* [[HBCO]]
== Genes associated with this reaction  ==
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== Reaction(s) of unknown directionality ==
== Pathways  ==
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* [[RXNI-2]]
* [[PWY-7036]], very long chain fatty acid biosynthesis II: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7036 PWY-7036]
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* [[RXN-11662]]
** '''16''' reactions found over '''16''' reactions in the full pathway
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* [[HBCO_nadp]]
== Reconstruction information  ==
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* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
* [[annotation]]:
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* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
** [[pathwaytools]]:
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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
+
 
== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* LIPID_MAPS : LMFA07050030
{{#set: ec number=EC-2.3.1.199}}
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* CAS : 1420-36-6
{{#set: in pathway=PWY-7036}}
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* BIGG : aacoa
{{#set: reconstruction category=annotation}}
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* DRUGBANK : DB03059
{{#set: reconstruction tool=pathwaytools}}
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* PUBCHEM:
{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266540 45266540]
 +
* KNAPSACK : C00007269
 +
* HMDB : HMDB01484
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286]
 +
* METABOLIGHTS : MTBLC57286
 +
{{#set: smiles=CC(=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-]}}
 +
{{#set: common name=acetoacetyl-CoA}}
 +
{{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}}
 +
{{#set: molecular weight=847.577    }}
 +
{{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}}
 +
{{#set: consumed by=3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN|RXN-5901}}
 +
{{#set: produced by=ACACT|HBCO}}
 +
{{#set: reversible reaction associated=RXNI-2|RXN-11662|HBCO_nadp|ACETYL-COA-ACETYLTRANSFER-RXN|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN}}

Latest revision as of 20:54, 21 March 2018

Metabolite ACETOACETYL-COA

  • smiles:
    • CC(=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-]
  • common name:
    • acetoacetyl-CoA
  • inchi key:
    • InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
  • molecular weight:
    • 847.577
  • Synonym(s):
    • 3-acetoacetyl-CoA
    • acetoacetyl-S-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMFA07050030
  • CAS : 1420-36-6
  • BIGG : aacoa
  • DRUGBANK : DB03059
  • PUBCHEM:
  • KNAPSACK : C00007269
  • HMDB : HMDB01484
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57286
"CC(=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.