diaminobutyryl-citryl-ethanolamine

Properties Image MNX_ID MNXM8538 reference metacycM:CPD-12578 formula C12H21N3O8 global charge 0 mol weight 335.313 InChIKey LSPLPRKUZOPVTF-UHFFFAOYSA-N InChI InChI=1S/C12H21N3O8/c13-2-4-23-9(17)6-12(22,11(20)21)5-8(16)15-3-1-7(14)10(18)19/h7,22H,1-6,13-14H2,(H,15,16)(H,18,19)(H,20,21) SMILES [NH3+]CCOC(=O)CC(O)(CC(=O)NCCC([NH3+])C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H21N3O8/c13-2-4-23-9(17)6-12(22,11(20)21)5-8(16)15-3-1-7(14)10(18)19/h7,22H,1-6,13-14H2,(H,15,16)(H,18,19)(H,20,21)/t7?,12? SMILES (mnx) [CH2:1]([CH2:3][N:15]=[C:8]([CH2:5][C:12]([CH2:6][C:9](=[O:17])[O:23][CH2:4][CH2:2][NH2:13])([C:11](=[O:20])[OH:21])[OH:22])[OH:16])[CH:7]([C:10](=[O:18])[OH:19])[NH2:14]

Parent-child relations graph

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