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| InChIKey | YTKKDFTVSNSVEE-TYHXJLICSA-J |
| InChI | InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)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/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1 |
| SMILES | CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1O |
| #reac | |
|---|---|
| Distinct reactions in my sandbox | 0 |
| Distinct generic reactions in MNXref | 11 |
| Distinct compatimentalized reactions in models | 0 |
| Identifier | Description |
|---|---|
| keggC:M_C20394 seedM:M_cpd23245 seedM:M_cpd29569 | secondary/obsolete/fantasy identifier |
| chebi:67148 | 2-hydroxybenzoyl-CoA 2-hydroxybenzoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} o-hydroxybenzoyl-CoA(4-) o-hydroxybenzoyl-coenzyme A(4-) salicoyl-CoA tetraanion salicoyl-CoA(4-) salicoyl-coenzyme A(4-) |
| seedM:cpd29569 | salicyloyl-CoA |
| keggC:C20394 | 2-Hydroxybenzoyl-CoA Salicoyl-CoA |
| chebi:32587 reactome:R-ALL-159557 | 2-hydroxybenzoyl-CoA 2-hydroxybenzoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} o-hydroxybenzoyl-CoA o-hydroxybenzoyl-coenzyme A salicoyl-CoA salicoyl-coenzyme A |
| seedM:cpd23245 | 2-hydroxybenzoyl-CoA 2-Hydroxybenzoyl-CoA 2-hydroxybenzoyl-coenzyme A Salicoyl-CoA salicoyl-CoA salicoyl-coenzyme A salicyl-CoA salicyloyl-CoA |
| metacycM:CPD-12112 | salicyl-CoA 2-hydroxybenzoyl-CoA 2-hydroxybenzoyl-coenzyme A salicoyl-CoA salicoyl-coenzyme A salicyloyl-CoA |
| MNXM90222 | is deprecated and replaced by this entry |
