N(8)-citryl-spermidine

Properties Image MNX_ID MNXM8916 reference chebi:149586 formula C13H25N3O6 global charge 0 mol weight 319.358 InChIKey JJVVKHQEFSESNM-UHFFFAOYSA-N InChI InChI=1S/C13H25N3O6/c14-4-3-6-15-5-1-2-7-16-10(17)8-13(22,12(20)21)9-11(18)19/h15,22H,1-9,14H2,(H,16,17)(H,18,19)(H,20,21) SMILES [NH3+]CCC[NH2+]CCCCNC(=O)CC(O)(CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H25N3O6/c14-4-3-6-15-5-1-2-7-16-10(17)8-13(22,12(20)21)9-11(18)19/h15,22H,1-9,14H2,(H,16,17)(H,18,19)(H,20,21)/t13? SMILES (mnx) [CH2:1]([CH2:2][CH2:7][N:16]=[C:10]([CH2:8][C:13]([CH2:9][C:11](=[O:18])[OH:19])([C:12](=[O:20])[OH:21])[OH:22])[OH:17])[CH2:5][NH:15][CH2:6][CH2:3][CH2:4][NH2:14]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 3