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🧪 3-(4-Sulfophenyl)butyrate-CoA

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

Chemical Structure

3-(4-Sulfophenyl)butyrate-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(C4=CC=C(C=C4)S(=O)(=O)[O-])C
InChI:
InChI=1S/C31H46N7O20P3S2/c1-17(18-4-6-19(7-5-18)63(51,52)53)12-22(40)62-11-10-33-21(39)8-9-34-29(43)26(42)31(2,3)14-55-61(49,50)58-60(47,48)54-13-20-25(57-59(44,45)46)24(41)30(56-20)38-16-37-23-27(32)35-15-36-28(23)38/h4-7,15-17,20,24-26,30,41-42H,8-14H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)(H,51,52,53)/p-1/t17?,20-,24-,25-,26+,30-/m1/s1
Database ID:
430
External:
View on PubChem ↗

🔬 Reactant

Reactant 3-(4-Sulfophenyl)butyrate-CoA → Product 3-(4-Sulfophenyl)butyrate enoyl-CoA
3-(4-sulfophenyl)butyrate-CoA dehydrogenase (Eawag BBD reaction r1664)       (EC 1.3.-.-)
In pathway: 3-(4-Sulfophenyl)butyrate

🔬 Product

Reactant 3-(4-Sulfophenyl)butyrate → Product 3-(4-Sulfophenyl)butyrate-CoA
3-(4-sulfophenyl)butyrate-CoA synthetase (Eawag BBD reaction r1663)       (EC 6.2.1.-)
In pathway: 3-(4-Sulfophenyl)butyrate

🗺️ All Pathways Containing This Compound

3-(4-Sulfophenyl)butyrate
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