a medium-chain (2E)-2-enoyl-CoA

Properties Image MNX_ID MNXM168304 reference metacycM:medium-Chain-Trans-23-Dehydroacyl-CoA formula C27H39N7O17P3S* global charge -4 mol weight   InChIKey   InChI   SMILES [*]CCC/C=C/C(=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/C28H46N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h7-8,15-17,21-23,27,38-39H,4-6,9-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/b8-7+/t17-,21-,22-,23+,27-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]/[C:19](=[O:37])[S:56][CH2:12][CH2:11][N:30]=[C:18]([CH2:9][CH2:10][N:31]=[C:26]([C@@H:23]([C:28]([CH3:2])([CH3:3])[CH2:14][O:49][P:55]([OH:46])(=[O:47])[O:52][P:54]([OH:44])(=[O:45])[O:48][CH2:13][C@@H:17]1[C@@H:22]([O:51][P:53]([OH:41])([OH:42])=[O:43])[C@@H:21]([OH:38])[C@H:27]([N:35]2[CH:16]=[N:34][C:20]3=[C:24]([NH2:29])[N:32]=[CH:15][N:33]=[C:25]32)[O:50]1)[OH:39])[OH:40])[OH:36]

Parent-child relations graph

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