Compound Details

 Compound-ID 7797
 Common Name 3-Hydroxybenzoyl-CoA
 InChI InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-5,10,13-14,17,20-22,26,36,38-39H,6-9,11-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1
 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)c4cccc(O)c4
 External Links
 KEGG-COMPOUND-ID C05195
 PUBCHEM-ID 7600
 ChEBI-ID 15484
57342
20065
1539
11829
 METACYC-ID CPD-264
 METANETX-ID MNXM1307


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