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🧪 4-Methyl-3-oxooctanoyl-CoA

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

Chemical Structure

4-Methyl-3-oxooctanoyl-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(C)CCCC
InChI:
InChI=1S/C30H50N7O18P3S/c1-5-6-7-17(2)18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)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/h15-17,19,23-25,29,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t17?,19-,23-,24-,25+,29-/m1/s1
Database ID:
588
External:
View on PubChem ↗

🔬 Reactant

Reactant 4-Methyl-3-oxooctanoyl-CoA → Product 2-Methylhexanoyl-CoA
2-methylhexanoyl-CoA C-acetyltransferase (Eawag BBD reaction r0927)       (EC 2.3.1.-)
In pathway: n-Hexane (anaerobic)
Reactant 4-Methyl-3-oxooctanoyl-CoA → Product Acetyl-CoA
2-methylhexanoyl-CoA C-acetyltransferase (Eawag BBD reaction r0927)       (EC 2.3.1.-)
In pathway: n-Hexane (anaerobic)

🔬 Product

Reactant 3-Hydroxy-4-methyloctanoyl-CoA → Product 4-Methyl-3-oxooctanoyl-CoA
3-hydroxy-4-methyloctanoyl-CoA dehydrogenase (Eawag BBD reaction r0926)       (EC 1.1.-.-)
In pathway: n-Hexane (anaerobic)

🗺️ All Pathways Containing This Compound

n-Hexane (anaerobic)
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