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InChIKey | URTLOTISFJPPOU-DEGQQWIJSA-I |
InChI | InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/b5-3+/t14-,19-,20-,21+,25-/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=C\CC([O-])=O |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 22 |
Distinct compatimentalized reactions in models | 1 |
Identifier | Description |
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sabiorkM:6193 | Glutaconyl-1-CoA 4-Carboxybut-2-enoyl-CoA |
seedM:cpd01599 | Glutaconyl-1-CoA (2E)-4-Carboxybut-2-enoyl-CoA (2E)-4-carboxybut-2-enoyl-CoA (E)-Glutaconyl-CoA (E)-glutaconyl-CoA 4-Carboxybut-2-enoyl-CoA GLUTACONYL-COA Glutaconyl-CoA glutaconyl-1-CoA glutaconyl-coenzyme A pent-2-enoyl-CoA |
envipath:...6de1ac2d5119 | Glutaconyl-CoA |
lipidmaps:LMFA07050389 | trans-4-carboxybut-2-enoyl-CoA 4-carboxy-2E-butenoyl-CoA CoA(5:1) |
metacycM:GLUTACONYL-COA | (E)-glutaconyl-CoA (2E)-4-carboxybut-2-enoyl-CoA glutaconyl-1-CoA glutaconyl-coenzyme A pent-2-enoyl-CoA |
slm:000389606 | (3E)-pentadienoyl-CoA |
chebi:57353 | (2E)-glutaconyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxylatobut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} trans-4-carboxybut-2-enoyl-CoA(5-) |
chebi:15497 | trans-4-carboxybut-2-enoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxybut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 4-Carboxybut-2-enoyl-CoA Glutaconyl-1-CoA |
keggC:C02411 | Glutaconyl-1-CoA (2E)-4-Carboxybut-2-enoyl-CoA (E)-Glutaconyl-CoA 4-Carboxybut-2-enoyl-CoA Glutaconyl-CoA |
chebi:11969 chebi:14320 chebi:24310 chebi:5430 keggC:M_C02411 seedM:M_cpd01599 | secondary/obsolete/fantasy identifier |
MNXM90830 | is deprecated and replaced by this entry |