O-citryl-ethanolamine

Properties Image MNX_ID MNXM8952 reference metacycM:CPD-12577 formula C8H12NO7 global charge -1 mol weight 234.184 InChIKey NUXSZBCGZWMACN-UHFFFAOYSA-M InChI InChI=1S/C8H13NO7/c9-1-2-16-6(12)4-8(15,7(13)14)3-5(10)11/h15H,1-4,9H2,(H,10,11)(H,13,14)/p-1 SMILES [NH3+]CCOC(=O)CC(O)(CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H13NO7/c9-1-2-16-6(12)4-8(15,7(13)14)3-5(10)11/h15H,1-4,9H2,(H,10,11)(H,13,14)/t8? SMILES (mnx) [CH2:1]([CH2:2][O:16][C:6]([CH2:4][C:8]([CH2:3][C:5](=[O:10])[OH:11])([C:7](=[O:13])[OH:14])[OH:15])=[O:12])[NH2:9]

Parent-child relations graph

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