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| InChIKey | FISPFQWSJIRGHD-SVHODSNWSA-J |
| InChI | InChI=1S/C29H40N7O18P3S/c1-29(2,23(40)26(41)32-9-8-18(37)31-10-11-58-28(42)20(38)16-6-4-3-5-7-16)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(39)27(52-17)36-15-35-19-24(30)33-14-34-25(19)36/h3-7,14-15,17,21-23,27,39-40H,8-13H2,1-2H3,(H,31,37)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,21-,22-,23+,27-/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)C(=O)c1ccccc1 |
| #reac | |
|---|---|
| Distinct reactions in my sandbox | 0 |
| Distinct generic reactions in MNXref | 14 |
| Distinct compatimentalized reactions in models | 0 |
| Identifier | Description |
|---|---|
| chebi:58811 | phenylglyoxylyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[oxo(phenyl)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] diphosphate} phenylglyoxylyl-CoA tetraanion phenylglyoxylyl-CoA(4-) phenylglyoxylyl-coenzyme A(4-) |
| metacycM:CPD-7242 | phenylglyoxylyl-CoA |
| chebi:50117 | phenylglyoxylyl-CoA 2-ketophenylacetyl-CoA 2-ketophenylacetyl-coenzyme A 2-oxo-2-phenylacetyl-CoA 2-oxo-2-phenylacetyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[oxo(phenyl)acetyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} Phenylglyoxylyl-CoA alpha-ketophenylacetyl-CoA alpha-ketophenylacetyl-coenzyme A benzoyl-formyl coenzyme A benzoyl-formyl-CoA oxo(phenyl)acetyl-CoA oxo(phenyl)acetyl-coenzyme A |
| keggC:M_C15524 seedM:M_cpd11203 | secondary/obsolete/fantasy identifier |
| keggC:C15524 | Phenylglyoxylyl-CoA |
| seedM:cpd11203 | Phenylglyoxylyl-CoA phenylglyoxylyl-CoA |
| MNXM92555 | is deprecated and replaced by this entry |
