pre-alcaligin

Properties Image MNX_ID MNXM12729 reference metacycM:CPD-11972 formula C16H30N4O9 global charge 0 mol weight 422.435 InChIKey RKINUHOCCHCZHL-RYUDHWBXSA-N InChI InChI=1S/C16H30N4O9/c17-9-11(21)5-7-19(28)14(24)2-1-13(23)18-10-12(22)6-8-20(29)15(25)3-4-16(26)27/h11-12,21-22,28-29H,1-10,17H2,(H,18,23)(H,26,27)/t11-,12-/m0/s1 SMILES [NH3+]C[C@@H](O)CCN(O)C(=O)CCC(=O)NC[C@@H](O)CCN(O)C(=O)CCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H30N4O9/c17-9-11(21)5-7-19(28)14(24)2-1-13(23)18-10-12(22)6-8-20(29)15(25)3-4-16(26)27/h11-12,21-22,28-29H,1-10,17H2,(H,18,23)(H,26,27)/t11-,12-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:14]([N:19]([CH2:7][CH2:5][C@@H:11]([CH2:9][NH2:17])[OH:21])[OH:28])=[O:24])[C:13](=[N:18][CH2:10][C@H:12]([CH2:6][CH2:8][N:20]([C:15]([CH2:3][CH2:4][C:16](=[O:26])[OH:27])=[O:25])[OH:29])[OH:22])[OH:23]

Parent-child relations graph

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