a 2-enoyl-CoA

Properties Image MNX_ID MNXM35045 reference metacycM:D2-ENOYL-COA formula C25H35N7O17P3S* global charge -4 mol weight   InChIKey   InChI   SMILES [*]CC=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/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/b6-5?/t15-,19-,20-,21+,25-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:4][CH:5]=[CH:6][C:17](=[O:35])[S:54][CH2:10][CH2:9][N:28]=[C:16]([CH2:7][CH2:8][N:29]=[C:24]([C@@H:21]([C:26]([CH3:2])([CH3:3])[CH2:12][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:11][C@@H:15]1[C@@H:20]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:19]([OH:36])[C@H:25]([N:33]2[CH:14]=[N:32][C:18]3=[C:22]([NH2:27])[N:30]=[CH:13][N:31]=[C:23]32)[O:48]1)[OH:37])[OH:38])[OH:34]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0