a 4,5-saturated-(3E)-enoyl-CoA

Properties Image MNX_ID MNXM151063 reference chebi:85493 formula C26H37N7O17P3S* global charge -4 mol weight   InChIKey   InChI   SMILES [*]C/C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-] MNX internals InChI (mnx) InChI=1/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5+/t16-,20-,21-,22+,26-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:4]/[CH:5]=[CH:6]/[CH2:7][C:18](=[O:36])[S:55][CH2:11][CH2:10][N:29]=[C:17]([CH2:8][CH2:9][N:30]=[C:25]([C@@H:22]([C:27]([CH3:2])([CH3:3])[CH2:13][O:48][P:54]([OH:45])(=[O:46])[O:51][P:53]([OH:43])(=[O:44])[O:47][CH2:12][C@@H:16]1[C@@H:21]([O:50][P:52]([OH:40])([OH:41])=[O:42])[C@@H:20]([OH:37])[C@H:26]([N:34]2[CH:15]=[N:33][C:19]3=[C:23]([NH2:28])[N:31]=[CH:14][N:32]=[C:24]32)[O:49]1)[OH:38])[OH:39])[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2