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🧪 Benzoyl acetyl-CoA

Appears in: 1 pathway
Produces: 2 compounds
Produced by: 1 transformation

Chemical Structure

Benzoyl acetyl-CoA

📋 Properties

SMILES:
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC(=O)C=4C=CC=CC4
InChI:
InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-7,15-16,19,23-25,29,41-42H,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)
Database ID:
771
External:
View on PubChem ↗

🔬 Reactant

Reactant Benzoyl acetyl-CoA → Product Benzoyl-CoA
benzoyl acetate-CoA thiolase (Eawag BBD reaction r0243)       (EC 2.3.1.-)
In pathway: Ethylbenzene (anaerobic)
Reactant Benzoyl acetyl-CoA → Product Acetyl-CoA
benzoyl acetate-CoA thiolase (Eawag BBD reaction r0243)       (EC 2.3.1.-)
In pathway: Ethylbenzene (anaerobic)

🔬 Product

Reactant Benzoyl acetate → Product Benzoyl acetyl-CoA
benzoyl acetate-CoA ligase (Eawag BBD reaction r0242)       (EC 6.2.1.-)
In pathway: Ethylbenzene (anaerobic)

🗺️ All Pathways Containing This Compound

Ethylbenzene (anaerobic)
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