decanedioyl-CoA

Properties Image MNX_ID MNXM726242 reference chebi:76316 formula C31H47N7O19P3S global charge -5 mol weight 946.736 InChIKey JZXNELIZHJCEFA-PVMJKYSESA-I InChI InChI=1S/C31H52N7O19P3S/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38/h17-19,24-26,30,43-44H,3-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/t19-,24-,25-,26+,30-/m1/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C31H52N7O19P3S/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38/h17-19,24-26,30,43-44H,3-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t19-,24-,25-,26+,30-/m1/s1 SMILES (mnx) [CH3:1][C:31]([CH3:2])([CH2:16][O:54][P:60]([OH:51])(=[O:52])[O:57][P:59]([OH:49])(=[O:50])[O:53][CH2:15][C@@H:19]1[C@@H:25]([O:56][P:58]([OH:46])([OH:47])=[O:48])[C@@H:24]([OH:43])[C@H:30]([N:38]2[CH:18]=[N:37][C:23]3=[C:27]([NH2:32])[N:35]=[CH:17][N:36]=[C:28]32)[O:55]1)[C@H:26]([C:29](=[N:34][CH2:12][CH2:11][C:20](=[N:33][CH2:13][CH2:14][S:61][C:22]([CH2:10][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][C:21](=[O:40])[OH:41])=[O:42])[OH:39])[OH:45])[OH:44]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 11 in models (compartimentalized) 8