2-succinylbenzoyl-CoA

Properties Image MNX_ID MNXM726805 reference chebi:57364 formula C32H39N7O20P3S global charge -5 mol weight 966.682 InChIKey KVAQAPQXOXTRAE-HSJNEKGZSA-I InChI InChI=1S/C32H44N7O20P3S/c1-32(2,26(44)29(45)35-10-9-21(41)34-11-12-63-22(42)8-7-19(40)17-5-3-4-6-18(17)31(46)47)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(43)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,43-44H,7-14H2,1-2H3,(H,34,41)(H,35,45)(H,46,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/p-5/t20-,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)CCC(=O)C1=CC=CC=C1C(=O)[O-] MNX internals InChI (mnx) InChI=1/C32H44N7O20P3S/c1-32(2,26(44)29(45)35-10-9-21(41)34-11-12-63-22(42)8-7-19(40)17-5-3-4-6-18(17)31(46)47)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(43)30(57-20)39-16-38-23-27(33)36-15-37-28(23)39/h3-6,15-16,20,24-26,30,43-44H,7-14H2,1-2H3,(H,34,41)(H,35,45)(H,46,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t20-,24-,25-,26+,30-/m1/s1 SMILES (mnx) [CH3:1][C:32]([CH3:2])([CH2:14][O:56][P:62]([OH:53])(=[O:54])[O:59][P:61]([OH:51])(=[O:52])[O:55][CH2:13][C@@H:20]1[C@@H:25]([O:58][P:60]([OH:48])([OH:49])=[O:50])[C@@H:24]([OH:43])[C@H:30]([N:39]2[CH:16]=[N:38][C:23]3=[C:27]([NH2:33])[N:36]=[CH:15][N:37]=[C:28]32)[O:57]1)[C@H:26]([C:29](=[N:35][CH2:10][CH2:9][C:21](=[N:34][CH2:11][CH2:12][S:63][C:22]([CH2:8][CH2:7][C:19]([C:17]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:18]1[C:31](=[O:46])[OH:47])=[O:40])=[O:42])[OH:41])[OH:45])[OH:44]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 7