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C2H4O2 Acetic acid 60.02113 C13H23N2O8PS S-acetyl phosphopantetheine 398.09238 C00033 KEGG Compound 937 ChemSpider 1.0 3633-59-8 CAS HMDB00250 HMDB Water AMP BioCyc 1.0 [Citrate [pro-3S]-lyase] ligase 1.0 64-19-7 CAS SMILES O Pyrophosphate C10H14N5O7P Adenosine monophosphate 347.06308 [an apo citrate-lyase acyl-carrier protein] 1.0 SMILES [O-]P([O-])(=O)OP([O-])([O-])=O 14000-31-8 CAS CHEBI:16027 ChEBI C12H23N2O6PS 4'-phosphopantetheine 354.10254 PW002075 PathWhiz ATP BioCyc [a holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] 1.0 1.0 559142 ChemSpider 25203813 PubChem-compound HMDB00538 HMDB P77231 UniProt CHEBI:15422 ChEBI DEPHOSPHO-COA BioCyc SMILES CC(O)=O 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase 5742 ChemSpider 1038 PubChem-compound 7732-18-5 CAS Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 439335 PubChem-compound HMDB59597 HMDB Adenosine monophosphate C21H35N7O13P2S Dephospho-CoA 687.14886 1.0 5858 ChemSpider C10H16N5O13P3 Adenosine triphosphate 506.99576 Citrate lyase activation 1010 ChemSpider 388463 ChemSpider Acetic acid 1.0 Adenine PPI BioCyc C5H5N5 Adenine 135.05449 [an apo citrate-lyase acyl-carrier protein] CHEBI:15366 ChEBI 962 PubChem-compound 1.0 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA Hydrogen Ion Adenosine triphosphate 25203684 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound Dephospho-CoA 171 ChemSpider SMP02087 SMPDB SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS 1.0 CHEBI:15377 ChEBI 2.4.2.52 false 2.4.2.52 Adenosine triphosphate + Dephospho-CoA + Hydrogen Ion → 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA + Adenine LEFT_TO_RIGHT CHEBI:15378 ChEBI SMILES [H+] 2.7.7.61 false 2.7.7.61 [an apo citrate-lyase acyl-carrier protein] + 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA → Hydrogen Ion + Pyrophosphate + [a holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT ADENINE BioCyc Reaction6062 false Acetic acid + Hydrogen Ion + [a holo citrate lyase acyl-carrier protein] → Water + an acetyl-[holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT 6.2.1.22 false 6.2.1.22 Acetic acid + Adenosine triphosphate + [a holo citrate lyase acyl-carrier protein] → Adenosine monophosphate + Pyrophosphate + an acetyl-[holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT SMILES [H][C@](O)(C(O)=NCCC(O)=NCCS)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]([H])(O)[C@@]2([H])O)[C@]1([H])O Reaction6064 false S-acetyl phosphopantetheine + [a holo citrate lyase acyl-carrier protein] → 4'-phosphopantetheine + an acetyl-[holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT C00001 KEGG Compound SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O CHEBI:18361 ChEBI C00882 KEGG Compound C00002 KEGG Compound [Citrate [pro-3S]-lyase] ligase Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase 1.0 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase [a holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] SMILES NC1=C2NC=NC2=NC=N1 ReactionCatalysis6026 ACTIVATION 1.0 ReactionCatalysis6025 ACTIVATION ReactionCatalysis6024 ACTIVATION HMDB00034 HMDB P0A6G5 UniProt 644102 PubChem-compound SMILES CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])([O-])=O 4'-phosphopantetheine CHEBI:15468 ChEBI P77390 UniProt 6083 PubChem-compound C00013 KEGG Compound O7P2 Pyrophosphate 173.91193 H2O Water 18.010565 5957 PubChem-compound 190 PubChem-compound CHEBI:16708 ChEBI HMDB00045 HMDB H Hydrogen Ion 1.007825 C26H46N7O26P5S 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA 1059.0901 SMILES CC(C(=O)NCCC(=O)NCCS)C(C)(C)COP([O-])([O-])=O 1.0 56-65-5 CAS C00020 KEGG Compound HMDB01373 HMDB C00147 KEGG Compound HMDB00042 HMDB S-acetyl phosphopantetheine 176 PubChem-compound ACET BioCyc 185 ChemSpider 1.0 CHEBI:61723 ChEBI 73-24-5 CAS 2-(5''- triphosphoribosyl)- 3'- dephosphocoenzyme- A synthase Apo-citrate lyase phosphoribosyl- dephospho-CoA transferase [Citrate [pro-3S]-lyase] ligase Dephospho-CoA ATP H + Adenine 2'-(5- Triphosphoribosyl)- 3'-dephospho- CoA PP i H + H + Acetic acid H 2 O ATP Acetic acid AMP PP i S-acetyl phosphopantetheine 4'- phosphopantetheine [an apo citrate-lyase acyl-carrier protein] [a holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein]
C2H4O2 Acetic acid 60.02113 C13H23N2O8PS S-acetyl phosphopantetheine 398.09238 C00033 KEGG Compound 937 ChemSpider 1.0 3633-59-8 CAS HMDB00250 HMDB Water AMP BioCyc 1.0 [Citrate [pro-3S]-lyase] ligase 1.0 64-19-7 CAS SMILES O Pyrophosphate C10H14N5O7P Adenosine monophosphate 347.06308 [an apo citrate-lyase acyl-carrier protein] 1.0 SMILES [O-]P([O-])(=O)OP([O-])([O-])=O 14000-31-8 CAS CHEBI:16027 ChEBI C12H23N2O6PS 4'-phosphopantetheine 354.10254 PW002075 PathWhiz ATP BioCyc [a holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] 1.0 1.0 559142 ChemSpider 25203813 PubChem-compound HMDB00538 HMDB P77231 UniProt CHEBI:15422 ChEBI DEPHOSPHO-COA BioCyc SMILES CC(O)=O 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase 5742 ChemSpider 1038 PubChem-compound 7732-18-5 CAS Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase 61-19-8 CAS SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 439335 PubChem-compound HMDB59597 HMDB Adenosine monophosphate C21H35N7O13P2S Dephospho-CoA 687.14886 1.0 5858 ChemSpider C10H16N5O13P3 Adenosine triphosphate 506.99576 Citrate lyase activation 1010 ChemSpider 388463 ChemSpider Acetic acid 1.0 Adenine PPI BioCyc C5H5N5 Adenine 135.05449 [an apo citrate-lyase acyl-carrier protein] CHEBI:15366 ChEBI 962 PubChem-compound 1.0 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA Hydrogen Ion Adenosine triphosphate 25203684 PubChem-compound HMDB02111 HMDB C00080 KEGG Compound Dephospho-CoA 171 ChemSpider http://identifiers.org/smpdb/SMP02087 SMPDB SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS 1.0 CHEBI:15377 ChEBI 2.4.2.52 false 2.4.2.52 Adenosine triphosphate + Dephospho-CoA + Hydrogen Ion → 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA + Adenine LEFT_TO_RIGHT CHEBI:15378 ChEBI SMILES [H+] 2.7.7.61 false 2.7.7.61 [an apo citrate-lyase acyl-carrier protein] + 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA → Hydrogen Ion + Pyrophosphate + [a holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT ADENINE BioCyc Reaction6062 false Acetic acid + Hydrogen Ion + [a holo citrate lyase acyl-carrier protein] → Water + an acetyl-[holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT 6.2.1.22 false 6.2.1.22 Acetic acid + Adenosine triphosphate + [a holo citrate lyase acyl-carrier protein] → Adenosine monophosphate + Pyrophosphate + an acetyl-[holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT SMILES [H][C@](O)(C(O)=NCCC(O)=NCCS)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]([H])(O)[C@@]2([H])O)[C@]1([H])O Reaction6064 false S-acetyl phosphopantetheine + [a holo citrate lyase acyl-carrier protein] → 4'-phosphopantetheine + an acetyl-[holo citrate lyase acyl-carrier protein] LEFT_TO_RIGHT C00001 KEGG Compound SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O CHEBI:18361 ChEBI C00882 KEGG Compound C00002 KEGG Compound [Citrate [pro-3S]-lyase] ligase Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase 1.0 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase [a holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] SMILES NC1=C2NC=NC2=NC=N1 ReactionCatalysis6026 ACTIVATION 1.0 ReactionCatalysis6025 ACTIVATION ReactionCatalysis6024 ACTIVATION HMDB00034 HMDB P0A6G5 UniProt 644102 PubChem-compound SMILES CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])([O-])=O 4'-phosphopantetheine CHEBI:15468 ChEBI P77390 UniProt 6083 PubChem-compound C00013 KEGG Compound O7P2 Pyrophosphate 173.91193 H2O Water 18.010565 5957 PubChem-compound 190 PubChem-compound CHEBI:16708 ChEBI HMDB00045 HMDB H Hydrogen Ion 1.007825 C26H46N7O26P5S 2'-(5-Triphosphoribosyl)-3'-dephospho-CoA 1059.0901 SMILES CC(C(=O)NCCC(=O)NCCS)C(C)(C)COP([O-])([O-])=O 1.0 56-65-5 CAS C00020 KEGG Compound HMDB01373 HMDB C00147 KEGG Compound HMDB00042 HMDB S-acetyl phosphopantetheine 176 PubChem-compound ACET BioCyc 185 ChemSpider 1.0 CHEBI:61723 ChEBI 73-24-5 CAS citG citX citC Dephospho-CoA Adenosine triphosphate Hydrogen Ion Adenine 2'-(5- Triphosphoribosyl)- 3'-dephospho- CoA Pyrophosphate Hydrogen Ion Hydrogen Ion Acetic acid Water Adenosine triphosphate Acetic acid Adenosine monophosphate Pyrophosphate S-acetyl phosphopantetheine 4'- phosphopantetheine [an apo citrate-lyase acyl-carrier protein] [a holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein] an acetyl-[holo citrate lyase acyl-carrier protein]