← Back to Compounds

🧪 4-Methyloctanoyl-CoA

Appears in: 1 pathway
Produces: 1 compound
Produced by: 2 transformations

Chemical Structure

4-Methyloctanoyl-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)CCC(C)CCCC
InChI:
InChI=1S/C30H52N7O17P3S/c1-5-6-7-18(2)8-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,40-41H,5-15H2,1-4H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)
Database ID:
596
External:
View on PubChem ↗

🔬 Reactant

Reactant 4-Methyloctanoyl-CoA → Product 4-Methyloct-2-enoyl-CoA
4-methyloctanoyl-CoA dehydrogenase (Eawag BBD reaction r0924)       (EC 1.3.-.-)
In pathway: n-Hexane (anaerobic)

🔬 Product

Reactant (2-Methylhexyl)malonyl-CoA → Product 4-Methyloctanoyl-CoA
methylmalonyl-CoA carboxyltransferase (Eawag BBD reaction r0923)       (EC 2.1.3.1)
In pathway: n-Hexane (anaerobic)
Reactant Pyruvate → Product 4-Methyloctanoyl-CoA
methylmalonyl-CoA carboxyltransferase (Eawag BBD reaction r0923)       (EC 2.1.3.1)
In pathway: n-Hexane (anaerobic)

🗺️ All Pathways Containing This Compound

n-Hexane (anaerobic)
← Back to Compounds