GDP-N,N'-diacetylbacillosamine

Properties Image MNX_ID MNXM11647 reference chebi:86016 formula C20H29N7O15P2 global charge -2 mol weight 669.434 InChIKey UFDVBOLRIAJRHF-ZSSIDFSASA-L InChI InChI=1S/C20H31N7O15P2/c1-6-10(23-7(2)28)14(31)11(24-8(3)29)19(39-6)41-44(36,37)42-43(34,35)38-4-9-13(30)15(32)18(40-9)27-5-22-12-16(27)25-20(21)26-17(12)33/h5-6,9-11,13-15,18-19,30-32H,4H2,1-3H3,(H,23,28)(H,24,29)(H,34,35)(H,36,37)(H3,21,25,26,33)/p-2/t6-,9-,10-,11-,13-,14+,15-,18-,19-/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)O[C@H](C)[C@@H](NC(C)=O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H31N7O15P2/c1-6-10(23-7(2)28)14(31)11(24-8(3)29)19(39-6)41-44(36,37)42-43(34,35)38-4-9-13(30)15(32)18(40-9)27-5-22-12-16(27)25-20(21)26-17(12)33/h5-6,9-11,13-15,18-19,30-32H,4H2,1-3H3,(H,23,28)(H,24,29)(H,34,35)(H,36,37)(H3,21,25,26,33)/t6-,9-,10-,11-,13-,14+,15-,18-,19-/m1/s1 SMILES (mnx) [CH3:1][C@@H:6]1[C@@H:10]([N:23]=[C:7]([CH3:2])[OH:28])[C@H:14]([OH:31])[C@@H:11]([N:24]=[C:8]([CH3:3])[OH:29])[C@@H:19]([O:41][P:44]([OH:36])(=[O:37])[O:42][P:43]([OH:34])(=[O:35])[O:38][CH2:4][C@@H:9]2[C@@H:13]([OH:30])[C@@H:15]([OH:32])[C@H:18]([N:27]3[CH:5]=[N:22][C:12]4=[C:16]3[NH:25][C:20](=[NH:21])[N:26]=[C:17]4[OH:33])[O:40]2)[O:39]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1