UDP-N,N'-diacetylbacillosamine

Properties Image MNX_ID MNXM97026 reference chebi:67134 formula C19H28N4O16P2 global charge -2 mol weight 630.393 InChIKey KCAODEOZHCZEBC-TUHJILAWSA-L InChI InChI=1S/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/p-2/t7-,10-,12-,13-,14-,15+,16-,17-,18-/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=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/C19H30N4O16P2/c1-7-12(20-8(2)24)15(28)13(21-9(3)25)18(36-7)38-41(33,34)39-40(31,32)35-6-10-14(27)16(29)17(37-10)23-5-4-11(26)22-19(23)30/h4-5,7,10,12-18,27-29H,6H2,1-3H3,(H,20,24)(H,21,25)(H,31,32)(H,33,34)(H,22,26,30)/t7-,10-,12-,13-,14-,15+,16-,17-,18-/m1/s1 SMILES (mnx) [CH3:1][C@@H:7]1[C@@H:12]([N:20]=[C:8]([CH3:2])[OH:24])[C@H:15]([OH:28])[C@@H:13]([N:21]=[C:9]([CH3:3])[OH:25])[C@@H:18]([O:38][P:41]([OH:33])(=[O:34])[O:39][P:40]([OH:31])(=[O:32])[O:35][CH2:6][C@@H:10]2[C@@H:14]([OH:27])[C@@H:16]([OH:29])[C@H:17]([N:23]3[CH:5]=[CH:4][C:11]([OH:26])=[N:22][C:19]3=[O:30])[O:37]2)[O:36]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 3