L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanine

Properties Image MNX_ID MNXM163832 reference metacycM:CPD0-1082 formula C18H30N5O9 global charge -1 mol weight 460.464 InChIKey VFGFFQOPKZHQLZ-MTVMDMGHSA-M InChI InChI=1S/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/p-1/t8-,9+,10+,11-,12+/m0/s1 SMILES C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/t8-,9+,10+,11-,12+/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:14](=[N:23][C@H:12]([CH2:6][CH2:7][C:13](=[N:22][C@@H:11]([CH2:5][CH2:3][CH2:4][C@H:10]([C:17](=[O:29])[OH:30])[NH2:20])[C:15](=[N:21][C@H:9]([CH3:2])[C:16](=[O:27])[OH:28])[OH:26])[OH:24])[C:18](=[O:31])[OH:32])[OH:25])[NH2:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0