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🧪 3-Oxo-5,6-dehydrosuberyl-CoA

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

Chemical Structure

3-Oxo-5,6-dehydrosuberyl-CoA

📋 Properties

SMILES:
O=C([O-])CC=CCC(=O)CC(=O)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-]
InChI:
InChI=1S/C29H44N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)11-16(37)5-3-4-6-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-23(55-57(45,46)47)22(42)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h3-4,14-15,17,22-24,28,42-43H,5-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/p-5
Database ID:
497
External:
View on PubChem ↗

🔬 Reactant

Reactant 3-Oxo-5,6-dehydrosuberyl-CoA → Product 5-Carboxy-2-pentenoyl-CoA
acetyl-CoA C-acyltransferase (Eawag BBD reaction r1733)       (EC 2.3.1.16)
In pathway: Phenylacetate
Reactant 3-Oxo-5,6-dehydrosuberyl-CoA → Product Acetyl-CoA
acetyl-CoA C-acyltransferase (Eawag BBD reaction r1733)       (EC 2.3.1.16)
In pathway: Phenylacetate

🔬 Product

Reactant 2-oxepin-2(3H)-ylideneacetyl-CoA → Product 3-Oxo-5,6-dehydrosuberyl-CoA
oxepin-CoA hydrolase (Eawag BBD reaction r1732)       (EC 3.3.2.12)
In pathway: Phenylacetate

🗺️ All Pathways Containing This Compound

Phenylacetate
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