2-amino-4-[5-(2-amino-2-carboxylatoethyl)-2-hydroxyphenyl]pentanedioate

Properties Image MNX_ID MNXM8051 reference metacycM:CPD-12135 formula C14H17N2O7 global charge -1 mol weight 325.297 InChIKey UEPMVCTWIQPSTP-UHFFFAOYSA-M InChI InChI=1S/C14H18N2O7/c15-9(13(20)21)4-6-1-2-11(17)7(3-6)8(12(18)19)5-10(16)14(22)23/h1-3,8-10,17H,4-5,15-16H2,(H,18,19)(H,20,21)(H,22,23)/p-1 SMILES [NH3+]C(CC1=CC=C(O)C(C(CC([NH3+])C(=O)[O-])C(=O)[O-])=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H18N2O7/c15-9(13(20)21)4-6-1-2-11(17)7(3-6)8(12(18)19)5-10(16)14(22)23/h1-3,8-10,17H,4-5,15-16H2,(H,18,19)(H,20,21)(H,22,23)/t8?,9?,10? SMILES (mnx) [CH:1]1=[CH:2][C:11]([OH:17])=[C:7]([CH:8]([CH2:5][CH:10]([C:14](=[O:22])[OH:23])[NH2:16])[C:12](=[O:18])[OH:19])[CH:3]=[C:6]1[CH2:4][CH:9]([C:13](=[O:20])[OH:21])[NH2:15]

Parent-child relations graph

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