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

Properties Image MNX_ID MNXM12136 reference metacycM:Long-Chain-Trans-23-Dehydroacyl-CoA formula C34H53N7O17P3S* global charge -4 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCC/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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30+,34-/m1/s1/i1+1 SMILES (mnx) [13CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]/[C:26](=[O:44])[S:63][CH2:19][CH2:18][N:37]=[C:25]([CH2:16][CH2:17][N:38]=[C:33]([C@@H:30]([C:35]([CH3:2])([CH3:3])[CH2:21][O:56][P:62]([OH:53])(=[O:54])[O:59][P:61]([OH:51])(=[O:52])[O:55][CH2:20][C@@H:24]1[C@@H:29]([O:58][P:60]([OH:48])([OH:49])=[O:50])[C@@H:28]([OH:45])[C@H:34]([N:42]2[CH:23]=[N:41][C:27]3=[C:31]([NH2:36])[N:39]=[CH:22][N:40]=[C:32]32)[O:57]1)[OH:46])[OH:47])[OH:43]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0