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🧪 3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA

Appears in: 1 pathway
Produces: 1 compound
Produced by: 1 transformation

Chemical Structure

3-Hydroxy-3-(4-sulfophenyl)butyryl-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)(C4=CC=C(C=C4)S(=O)(=O)[O-])C
InChI:
InChI=1S/C31H46N7O21P3S2/c1-30(2,25(42)28(43)34-9-8-20(39)33-10-11-63-21(40)12-31(3,44)17-4-6-18(7-5-17)64(52,53)54)14-56-62(50,51)59-61(48,49)55-13-19-24(58-60(45,46)47)23(41)29(57-19)38-16-37-22-26(32)35-15-36-27(22)38/h4-7,15-16,19,23-25,29,41-42,44H,8-14H2,1-3H3,(H,33,39)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)(H,52,53,54)/p-4
Database ID:
453
External:
View on PubChem ↗

🔬 Reactant

Reactant 3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA → Product 4-Sulfoacetophenone
3-hydroxy-3-(4-sulfophenyl)-butyryl-CoA lyase (Eawag BBD reaction r1666)       (EC 4.1.3.-)
In pathway: 3-(4-Sulfophenyl)butyrate

🔬 Product

Reactant 3-(4-Sulfophenyl)butyrate enoyl-CoA → Product 3-Hydroxy-3-(4-sulfophenyl)butyryl-CoA
enoyl-CoA hydratase (Eawag BBD reaction r1665)       (EC 4.2.1.17)
In pathway: 3-(4-Sulfophenyl)butyrate

🗺️ All Pathways Containing This Compound

3-(4-Sulfophenyl)butyrate
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