Difference between revisions of "CPD-16825"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9985 RXN-9985] == * direction: ** LEFT-TO-RIGHT * common name: ** sphingomyelinase * ec number:...")
 
(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]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9985 RXN-9985] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] ==
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* direction:
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* smiles:
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** 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-]
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* inchi key:
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** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
 
* common name:
 
* common name:
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** sphingomyelinase
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** acetoacetyl-CoA
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* ec number:
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* molecular weight:
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** [http://enzyme.expasy.org/EC/3.2.1.26 EC-3.2.1.26]
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** 847.577   
 
* Synonym(s):
 
* Synonym(s):
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** 3-acetoacetyl-CoA
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** acetoacetyl-S-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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* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
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** 1 [[Beta-D-Fructofuranosides]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[Glycosides]][c] '''+''' 1 [[BETA-D-FRUCTOSE]][c]
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* [[RXN-5901]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 a β-D-fructofuranoside[c] '''+''' 1 H2O[c] '''=>''' 1 a glycoside[c] '''+''' 1 β-D-fructofuranose[c]
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* [[ACACT]]
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* [[HBCO]]
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== Genes associated with this reaction  ==
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== Reaction(s) of unknown directionality ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[RXNI-2]]
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* [[Tiso_gene_12644]]
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* [[RXN-11662]]
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** IN-SILICO_ANNOTATION
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* [[HBCO_nadp]]
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***EC-NUMBER
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* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
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== Pathways  ==
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* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
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== Reconstruction information  ==
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* DRUGBANK : DB03059
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{{#set: common name=sphingomyelinase}}
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* CAS : 1420-36-6
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{{#set: ec number=EC-3.2.1.26}}
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* METABOLIGHTS : MTBLC57286
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{{#set: gene associated=Tiso_gene_12644}}
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* LIPID_MAPS : LMFA07050030
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{{#set: in pathway=}}
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* PUBCHEM:
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{{#set: reconstruction category=annotation}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266540 45266540]
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{{#set: reconstruction tool=pathwaytools}}
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* KNAPSACK : C00007269
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{{#set: reconstruction source=in-silico_annotation}}
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* HMDB : HMDB01484
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332]
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* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286]
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* BIGG : aacoa
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{{#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-]}}
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{{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}}
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{{#set: common name=acetoacetyl-CoA}}
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{{#set: molecular weight=847.577    }}
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{{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}}
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{{#set: consumed by=3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN|RXN-5901}}
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{{#set: produced by=ACACT|HBCO}}
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{{#set: consumed or produced by=RXNI-2|RXN-11662|HBCO_nadp|ACETYL-COA-ACETYLTRANSFER-RXN|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN}}

Revision as of 16:50, 10 January 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-]
  • inchi key:
    • InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
  • common name:
    • acetoacetyl-CoA
  • 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

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




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