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| InChIKey | WPIVBCGRGVNDDT-CECATXLMSA-J |
| InChI | InChI=1S/C29H48N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-16,18,22-24,28,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t18-,22-,23-,24+,28-/m1/s1 |
| SMILES | CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 |
| #reac | |
|---|---|
| Distinct reactions in my sandbox | 0 |
| Distinct generic reactions in MNXref | 11 |
| Distinct compatimentalized reactions in models | 9 |
| Identifier | Description |
|---|---|
| biggM:M_3oocoa biggM:M_HC01406 chebi:1645 chebi:20175 keggC:M_C05267 seedM:M_cpd03121 | secondary/obsolete/fantasy identifier |
| chebi:62619 | 3-oxooctanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate} 3-ketooctanoyl-CoA(4-) 3-oxooctanoyl-CoA(4-) |
| lipidmaps:LMFA07050249 | 3-Oxooctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-ketooctanoyl-CoA 3-ketooctanoyl-coenzyme A 3-oxooctanoyl-coenzyme A CoA(8:0(Ke)) |
| chebi:28264 reactome:R-ALL-77328 | 3-oxooctanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-Oxooctanoyl-CoA 3-ketooctanoyl-CoA 3-ketooctanoyl-coenzyme A 3-oxooctanoyl-coenzyme A |
| biggM:3oocoa keggC:C05267 | 3-Oxooctanoyl-CoA |
| sabiorkM:2744 | 3-Oxooctanoyl-CoA 3-Ketooctanoyl-CoA |
| seedM:cpd03121 | 3-Oxooctanoyl-CoA 3-oxooctanoyl-CoA 3oocoa |
| metacycM:CPD0-2106 slm:000001026 | 3-oxooctanoyl-CoA |
| biggM:HC01406 | 3-Oxo-Octanoyl Coenzyme A |
| MNXM89944 | is deprecated and replaced by this entry |
| MNXM91422 | is deprecated and replaced by this entry |
