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🧪 Pivalyl-CoA

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

Chemical Structure

Pivalyl-CoA

📋 Properties

SMILES:
O=C(NCCSC(=O)C(C)(C)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/C26H44N7O17P3S/c1-25(2,3)24(38)54-9-8-28-15(34)6-7-29-22(37)19(36)26(4,5)11-47-53(44,45)50-52(42,43)46-10-14-18(49-51(39,40)41)17(35)23(48-14)33-13-32-16-20(27)30-12-31-21(16)33/h12-14,17-19,23,35-36H,6-11H2,1-5H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)
Database ID:
1174
External:
View on PubChem ↗

🔬 Reactant

Reactant Pivalyl-CoA → Product 3-Methylbutyryl-CoA
pivalyl-CoA mutase (Eawag BBD reaction r1033)       (EC 5.4.99.-)
In pathway: Pivalic Acid (anaerobic)

🔬 Product

Reactant 2,4,4-Trimethyl-3-oxopentanoyl-CoA → Product Pivalyl-CoA
2,4,4-trimethyl-3-oxopentanoyl-CoA 2-C-propanoyl transferase (Eawag BBD reaction r1274)       (EC 2.3.1.-)
In pathway: Isooctane
Reactant Pivalate → Product Pivalyl-CoA
pivalate-CoA ligase (Eawag BBD reaction r1032)       (EC 6.2.1.-)
In pathway: Pivalic Acid (anaerobic)

🗺️ All Pathways Containing This Compound

Isooctane Pivalic Acid (anaerobic)
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