Compound Details

 Compound-ID 26175
 Common Name (-)-R-Ibuprofenoyl-CoA
 InChI InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t20-,23-,26-,27-,28?,32-/m1/s1
 SMILES C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O
 External Links
 PUBCHEM-CID 9854504
 ChEBI-ID 146203
 METACYC-ID CPD-19078
 METANETX-ID MNXM165256


View all entries for compound: (-)-R-Ibuprofenoyl-CoA




© HITS gGmbH