succinylo-toyocamycin phosphate

Properties Image MNX_ID MNXM12966 reference metacycM:CPD-13099 formula C16H14N5O11P global charge -4 mol weight 483.286 InChIKey MQSLUNXYBIVDLF-NRRWQYMBSA-J InChI InChI=1S/C16H18N5O11P/c17-2-6-3-21(15-12(25)11(24)8(32-15)4-31-33(28,29)30)14-10(6)13(18-5-19-14)20-7(16(26)27)1-9(22)23/h3,5,7-8,11-12,15,24-25H,1,4H2,(H,22,23)(H,26,27)(H,18,19,20)(H2,28,29,30)/p-4/t7?,8-,11-,12-,15+/m1/s1 SMILES N#CC1=CN([C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=NC=NC(NC(CC(=O)[O-])C(=O)[O-])=C12 MNX internals InChI (mnx) InChI=1/C16H18N5O11P/c17-2-6-3-21(15-12(25)11(24)8(32-15)4-31-33(28,29)30)14-10(6)13(18-5-19-14)20-7(16(26)27)1-9(22)23/h3,5,7-8,11-12,15,24-25H,1,4H2,(H,22,23)(H,26,27)(H,18,19,20)(H2,28,29,30)/t7?,8-,11-,12-,15+/m1/s1 SMILES (mnx) [CH2:1]([CH:7]([C:16](=[O:26])[OH:27])[NH:20][C:13]1=[N:18][CH:5]=[N:19][C:14]2=[C:10]1[C:6]([C:2]#[N:17])=[CH:3][N:21]2[C@@H:15]1[C@H:12]([OH:25])[C@H:11]([OH:24])[C@@H:8]([CH2:4][O:31][P:33]([OH:28])([OH:29])=[O:30])[O:32]1)[C:9](=[O:22])[OH:23]

Parent-child relations graph

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