N(8),N'(8)-citryl-bis(spermidine)

Properties Image MNX_ID MNXM12423 reference chebi:149592 formula C20H45N6O5 global charge 3 mol weight 449.617 InChIKey TWSVXJTXJAEAHP-UHFFFAOYSA-Q InChI InChI=1S/C20H42N6O5/c21-7-5-11-23-9-1-3-13-25-17(27)15-20(31,19(29)30)16-18(28)26-14-4-2-10-24-12-6-8-22/h23-24,31H,1-16,21-22H2,(H,25,27)(H,26,28)(H,29,30)/p+3 SMILES [NH3+]CCC[NH2+]CCCCNC(=O)CC(O)(CC(=O)NCCCC[NH2+]CCC[NH3+])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H42N6O5/c21-7-5-11-23-9-1-3-13-25-17(27)15-20(31,19(29)30)16-18(28)26-14-4-2-10-24-12-6-8-22/h23-24,31H,1-16,21-22H2,(H,25,27)(H,26,28)(H,29,30) SMILES (mnx) [CH2:1]([CH2:3][CH2:13][N:25]=[C:17]([CH2:15][C:20]([CH2:16][C:18](=[N:26][CH2:14][CH2:4][CH2:2][CH2:10][NH:24][CH2:12][CH2:6][CH2:8][NH2:22])[OH:28])([C:19](=[O:29])[OH:30])[OH:31])[OH:27])[CH2:9][NH:23][CH2:11][CH2:5][CH2:7][NH2:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 2