vibrioferrin

Properties Image MNX_ID MNXM162114 reference chebi:84585 formula C16H22N2O12 global charge 0 mol weight 434.354 InChIKey IGQXNKDXMPSELX-BIAKFKOBSA-N InChI InChI=1S/C16H22N2O12/c1-8(18-9(19)2-3-16(18,29)14(26)27)12(23)17-4-5-30-11(22)7-15(28,13(24)25)6-10(20)21/h8,28-29H,2-7H2,1H3,(H,17,23)(H,20,21)(H,24,25)(H,26,27)/t8-,15+,16?/m0/s1 SMILES C[C@@H](C(=O)NCCOC(=O)C[C@](O)(CC(=O)O)C(=O)O)N1C(=O)CCC1(O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H22N2O12/c1-8(18-9(19)2-3-16(18,29)14(26)27)12(23)17-4-5-30-11(22)7-15(28,13(24)25)6-10(20)21/h8,28-29H,2-7H2,1H3,(H,17,23)(H,20,21)(H,24,25)(H,26,27)/t8-,15+,16?/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:12](=[N:17][CH2:4][CH2:5][O:30][C:11]([CH2:7][C@:15]([CH2:6][C:10](=[O:20])[OH:21])([C:13](=[O:24])[OH:25])[OH:28])=[O:22])[OH:23])[N:18]1[C:9](=[O:19])[CH2:2][CH2:3][C:16]1([C:14](=[O:26])[OH:27])[OH:29]

Parent-child relations graph

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