Difference between revisions of "ACETOACETYL-COA"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=IMP-DEHYDROG-RXN IMP-DEHYDROG-RXN] == * direction: ** REVERSIBLE * common name: ** IMP dehydrogenas...")
(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=IMP-DEHYDROG-RXN IMP-DEHYDROG-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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* inchi key:
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** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
 
* common name:
 
* common name:
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** IMP dehydrogenase/GMP reductase
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** acetoacetyl-CoA
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** IMP dehydrogenase
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* molecular weight:
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* ec number:
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** 847.577   
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** [http://enzyme.expasy.org/EC/1.1.1.205 EC-1.1.1.205]
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* 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 [[NAD]][c] '''+''' 1 [[IMP]][c] '''+''' 1 [[WATER]][c] '''<=>''' 1 [[XANTHOSINE-5-PHOSPHATE]][c] '''+''' 1 [[NADH]][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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* [[ACETOACETATE--COA-LIGASE-RXN]]
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** 1 NAD+[c] '''+''' 1 IMP[c] '''+''' 1 H2O[c] '''<=>''' 1 XMP[c] '''+''' 1 NADH[c] '''+''' 1 H+[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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Genes have been associated with this reaction based on different elements listed below.
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* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
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* Gene: [[Ec-24_002410]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: GO-TERM
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** Source: [[orthology-aragem]]
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* Gene: [[Ec-19_000030]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Assignment: AUTOMATED-NAME-MATCH
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** Source: [[orthology-aragem]]
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== Pathways  ==
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* [[PWY-7221]], guanosine ribonucleotides de novo biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-7221 PWY-7221]
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** '''4''' reactions found over '''4''' reactions in the full pathway
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* [[PWY-5695]], urate biosynthesis/inosine 5'-phosphate degradation: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5695 PWY-5695]
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** '''3''' reactions found over '''4''' reactions in the full pathway
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* [[PWY-6596]], adenosine nucleotides degradation I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6596 PWY-6596]
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** '''6''' reactions found over '''8''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[orthology]]
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** Source: [[orthology-aragem]]
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*** Tool: [[pantograph]]
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* Category: [[annotation]]
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** Source: [[annotation-esiliculosus_genome]]
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*** Tool: [[pathwaytools]]
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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=11708 11708]
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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?R01130 R01130]
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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/P12268 P12268]
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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/P21620 P21620]
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* KNAPSACK : C00007269
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** [http://www.uniprot.org/uniprot/P50098 P50098]
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* HMDB : HMDB01484
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** [http://www.uniprot.org/uniprot/P50097 P50097]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/O26245 O26245]
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** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332]
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** [http://www.uniprot.org/uniprot/Q9PAR5 Q9PAR5]
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* CHEBI:
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** [http://www.uniprot.org/uniprot/P65172 P65172]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286]
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** [http://www.uniprot.org/uniprot/Q9X168 Q9X168]
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* METABOLIGHTS : MTBLC57286
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** [http://www.uniprot.org/uniprot/Q9KTW3 Q9KTW3]
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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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** [http://www.uniprot.org/uniprot/Q9YBU2 Q9YBU2]
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{{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}}
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** [http://www.uniprot.org/uniprot/Q9CIY6 Q9CIY6]
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{{#set: common name=acetoacetyl-CoA}}
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** [http://www.uniprot.org/uniprot/P21879 P21879]
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{{#set: molecular weight=847.577    }}
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** [http://www.uniprot.org/uniprot/P0ADG7 P0ADG7]
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{{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}}
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** [http://www.uniprot.org/uniprot/P56088 P56088]
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{{#set: consumed by=3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN}}
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** [http://www.uniprot.org/uniprot/P49058 P49058]
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{{#set: produced by=ACETOACETATE--COA-LIGASE-RXN}}
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** [http://www.uniprot.org/uniprot/O58045 O58045]
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{{#set: reversible reaction associated=RXN-11662|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN|ACETYL-COA-ACETYLTRANSFER-RXN}}
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** [http://www.uniprot.org/uniprot/Q9UY49 Q9UY49]
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** [http://www.uniprot.org/uniprot/Q9PKM2 Q9PKM2]
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** [http://www.uniprot.org/uniprot/Q9RT87 Q9RT87]
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** [http://www.uniprot.org/uniprot/Q9JUD0 Q9JUD0]
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** [http://www.uniprot.org/uniprot/Q59011 Q59011]
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** [http://www.uniprot.org/uniprot/Q9PNN3 Q9PNN3]
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** [http://www.uniprot.org/uniprot/P44334 P44334]
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** [http://www.uniprot.org/uniprot/O67820 O67820]
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** [http://www.uniprot.org/uniprot/P65167 P65167]
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** [http://www.uniprot.org/uniprot/Q9ZL14 Q9ZL14]
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** [http://www.uniprot.org/uniprot/Q9JZB5 Q9JZB5]
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** [http://www.uniprot.org/uniprot/Q9HXM5 Q9HXM5]
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** [http://www.uniprot.org/uniprot/P0C0H6 P0C0H6]
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** [http://www.uniprot.org/uniprot/P42851 P42851]
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** [http://www.uniprot.org/uniprot/P47996 P47996]
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** [http://www.uniprot.org/uniprot/Q9RHG9 Q9RHG9]
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** [http://www.uniprot.org/uniprot/P24547 P24547]
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** [http://www.uniprot.org/uniprot/Q9RHG1 Q9RHG1]
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** [http://www.uniprot.org/uniprot/P31002 P31002]
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** [http://www.uniprot.org/uniprot/Q07152 Q07152]
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** [http://www.uniprot.org/uniprot/P38697 P38697]
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** [http://www.uniprot.org/uniprot/P50094 P50094]
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** [http://www.uniprot.org/uniprot/P39567 P39567]
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** [http://www.uniprot.org/uniprot/P50095 P50095]
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** [http://www.uniprot.org/uniprot/Q49729 Q49729]
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** [http://www.uniprot.org/uniprot/O14344 O14344]
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** [http://www.uniprot.org/uniprot/O32912 O32912]
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{{#set: direction=REVERSIBLE}}
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{{#set: common name=IMP dehydrogenase/GMP reductase}}
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{{#set: common name=IMP dehydrogenase}}
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{{#set: ec number=EC-1.1.1.205}}
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{{#set: gene associated=Ec-24_002410|Ec-19_000030}}
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{{#set: in pathway=PWY-7221|PWY-5695|PWY-6596}}
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{{#set: reconstruction category=orthology|annotation}}
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{{#set: reconstruction source=annotation-esiliculosus_genome|orthology-aragem}}
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{{#set: reconstruction tool=pantograph|pathwaytools}}
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Latest revision as of 19:33, 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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