2-furoyl-CoA

Properties Image MNX_ID MNXM2321 reference chebi:57333 formula C26H34N7O18P3S global charge -4 mol weight 857.578 InChIKey IIKOXWXMCPEVLL-DJVIHCHSSA-J InChI InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,18-,19-,20+,24-/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)C1=CC=CO1 MNX internals InChI (mnx) InChI=1/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h3-4,8,12-13,15,18-20,24,35-36H,5-7,9-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,18-,19-,20+,24-/m1/s1 SMILES (mnx) [CH3:1][C:26]([CH3:2])([CH2:11][O:48][P:54]([OH:44])(=[O:45])[O:51][P:53]([OH:42])(=[O:43])[O:47][CH2:10][C@@H:15]1[C@@H:19]([O:50][P:52]([OH:39])([OH:40])=[O:41])[C@@H:18]([OH:35])[C@H:24]([N:33]2[CH:13]=[N:32][C:17]3=[C:21]([NH2:27])[N:30]=[CH:12][N:31]=[C:22]32)[O:49]1)[C@H:20]([C:23](=[N:29][CH2:6][CH2:5][C:16](=[N:28][CH2:7][CH2:9][S:55][C:25]([C:14]1=[CH:4][CH:3]=[CH:8][O:46]1)=[O:38])[OH:34])[OH:37])[OH:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0