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🧪 2-Methyl-3-oxohexanoyl-CoA

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

Chemical Structure

2-Methyl-3-oxohexanoyl-CoA

📋 Properties

SMILES:
O=C(NCCSC(=O)C(C(=O)CCC)C)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/C28H46N7O18P3S/c1-5-6-16(36)15(2)27(41)57-10-9-30-18(37)7-8-31-25(40)22(39)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-15,17,20-22,26,38-39H,5-12H2,1-4H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,17-,20-,21-,22+,26-/m1/s1
Database ID:
358
External:
View on PubChem ↗

🔬 Reactant

Reactant 2-Methyl-3-oxohexanoyl-CoA → Product Propanoyl-CoA
butyryl-CoA 2-C-propionyltransferase (Eawag BBD reaction r0931)       (EC 2.3.1.-)
In pathway: n-Hexane (anaerobic)
Reactant 2-Methyl-3-oxohexanoyl-CoA → Product Butyryl-CoA
butyryl-CoA 2-C-propionyltransferase (Eawag BBD reaction r0931)       (EC 2.3.1.-)
In pathway: n-Hexane (anaerobic)

🔬 Product

Reactant 3-Hydroxy-2-methylhexanoyl-CoA → Product 2-Methyl-3-oxohexanoyl-CoA
3-hydroxy-2-methylhexanoyl-CoA dehydrogenase (Eawag BBD reaction r0930)       (EC 1.1.-.-)
In pathway: n-Hexane (anaerobic)

🗺️ All Pathways Containing This Compound

n-Hexane (anaerobic)
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