| Compound-ID | 28653 |
| Common Name | 4-Methylbenzoyl-CoA |
| InChI |
InChI=1S/C27H38N7O17P3S/c1-14-4-6-15(7-5-14)26(39)55-33-17(35)8-9-29-24(38)21(37)27(2,3)11-48-54(45,46)51-53(43,44)47-10-16-20(50-52(40,41)42)19(36)25(49-16)34-13-32-18-22(28)30-12-31-23(18)34/h4-7,12-13,16,19-21,25,36-37H,8-11H2,1-3H3,(H,29,38)(H,33,35)(H,43,44)(H,45,46)(H2,28,30,31)(H2,40,41,42)/t16-,19-,20-,21+,25-/m1/s1
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| SMILES |
CC1=CC=C(C=C1)C(=O)SNC(=O)CCNC(=O)[C@@H](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
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| External Links | |
| PUBCHEM-CID | 102426195 |
| METACYC-ID | CPD-14809 |
| METANETX-ID | MNXM726985 |
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View all entries for compound: 4-Methylbenzoyl-CoA |