| Compound-ID | 8602 |
| Common Name | 4-Chlorobenzoyl-CoA |
| InChI |
InChI=1S/C28H39ClN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
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| SMILES |
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1(OP(O)(O)=O))n3cnc2c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)Cl
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| External Links | |
| KEGG-COMPOUND-ID |
C06387
|
| PUBCHEM-ID | 8623 |
| ChEBI-ID |
15498
57354 20335 1804 11974 |
| METACYC-ID | CPD-1776 |
| METANETX-ID | MNXM727349 |
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View all entries for compound: 4-Chlorobenzoyl-CoA |