Difference between revisions of "PWY-6498"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=H2NEOPTERINALDOL-RXN H2NEOPTERINALDOL-RXN] == * direction: ** REVERSIBLE * ec number: ** [http://en...")
(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=H2NEOPTERINALDOL-RXN H2NEOPTERINALDOL-RXN] ==
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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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** REVERSIBLE
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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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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/4.1.2.25 EC-4.1.2.25]
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** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
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* common name:
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** acetoacetyl-CoA
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* molecular weight:
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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 [[DIHYDRO-NEO-PTERIN]][c] '''<=>''' 1 [[GLYCOLALDEHYDE]][c] '''+''' 1 [[AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE]][c]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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* [[ACETOACETATE--COA-LIGASE-RXN]]
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** 1 7,8-dihydroneopterin[c] '''<=>''' 1 glycolaldehyde[c] '''+''' 1 6-(hydroxymethyl)-7,8-dihydropterin[c]
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== Reaction(s) of unknown directionality ==
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* [[RXN-11662]]
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== Genes associated with this reaction  ==
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* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
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== Pathways  ==
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* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
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* [[PWY-7539]], 6-hydroxymethyl-dihydropterin diphosphate biosynthesis III (Chlamydia): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7539 PWY-7539]
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** '''4''' reactions found over '''5''' reactions in the full pathway
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* [[PWY-6148]], tetrahydromethanopterin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6148 PWY-6148]
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** '''2''' reactions found over '''14''' reactions in the full pathway
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* [[PWY-6797]], 6-hydroxymethyl-dihydropterin diphosphate biosynthesis II (archaea): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6797 PWY-6797]
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** '''3''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-6147]], 6-hydroxymethyl-dihydropterin diphosphate biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6147 PWY-6147]
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** '''5''' reactions found over '''5''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[gap-filling]]
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** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
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*** Tool: [[meneco]]
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**** Comment: [[added for gapfilling]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* DRUGBANK : DB03059
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=10540 10540]
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* CAS : 1420-36-6
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* LIGAND-RXN:
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* BIGG : 34646
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** [http://www.genome.jp/dbget-bin/www_bget?R03504 R03504]
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* LIPID_MAPS : LMFA07050030
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* UNIPROT:
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* PUBCHEM:
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** [http://www.uniprot.org/uniprot/P22291 P22291]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266540 45266540]
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** [http://www.uniprot.org/uniprot/Q9CGE4 Q9CGE4]
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* KNAPSACK : C00007269
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** [http://www.uniprot.org/uniprot/Q9JUL3 Q9JUL3]
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* HMDB : HMDB01484
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** [http://www.uniprot.org/uniprot/P28823 P28823]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P29251 P29251]
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** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332]
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** [http://www.uniprot.org/uniprot/P53848 P53848]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/O75013 O75013]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286]
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{{#set: direction=REVERSIBLE}}
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* METABOLIGHTS : MTBLC57286
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{{#set: ec number=EC-4.1.2.25}}
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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: in pathway=PWY-7539|PWY-6148|PWY-6797|PWY-6147}}
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{{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}}
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{{#set: reconstruction category=gap-filling}}
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{{#set: common name=acetoacetyl-CoA}}
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{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
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{{#set: molecular weight=847.577    }}
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{{#set: reconstruction tool=meneco}}
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{{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}}
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{{#set: reconstruction comment=added for gapfilling}}
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{{#set: consumed by=3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN}}
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{{#set: produced by=ACETOACETATE--COA-LIGASE-RXN}}
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{{#set: reversible reaction associated=RXN-11662|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN|ACETYL-COA-ACETYLTRANSFER-RXN}}

Revision as of 13:38, 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-]
  • 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
  • BIGG : 34646
  • LIPID_MAPS : LMFA07050030
  • 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.




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