pre-putrebactin

Properties Image MNX_ID MNXM12731 reference chebi:229777 formula C16H30N4O7 global charge 0 mol weight 390.437 InChIKey MMTPETIUERTJQL-UHFFFAOYSA-N InChI InChI=1S/C16H30N4O7/c17-9-1-3-11-19(26)14(22)6-5-13(21)18-10-2-4-12-20(27)15(23)7-8-16(24)25/h26-27H,1-12,17H2,(H,18,21)(H,24,25) SMILES [NH3+]CCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H30N4O7/c17-9-1-3-11-19(26)14(22)6-5-13(21)18-10-2-4-12-20(27)15(23)7-8-16(24)25/h26-27H,1-12,17H2,(H,18,21)(H,24,25) SMILES (mnx) [CH2:1]([CH2:3][CH2:11][N:19]([C:14]([CH2:6][CH2:5][C:13](=[N:18][CH2:10][CH2:2][CH2:4][CH2:12][N:20]([C:15]([CH2:7][CH2:8][C:16](=[O:24])[OH:25])=[O:23])[OH:27])[OH:21])=[O:22])[OH:26])[CH2:9][NH2:17]

Parent-child relations graph

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