N-Acetyldemethylphosphinothricin tripeptide

Properties Image MNX_ID MNXM5835 reference chebi:81406 formula C12H22N3O7P global charge 0 mol weight 351.296 InChIKey UIFMNMVSZSUBTD-ZKWXMUAHSA-N InChI InChI=1S/C12H22N3O7P/c1-6(10(17)14-7(2)12(19)20)13-11(18)9(15-8(3)16)4-5-23(21)22/h6-7,9,23H,4-5H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)(H,21,22)/t6-,7-,9-/m0/s1 SMILES CC(=O)N[C@@H](CC[PH](=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O MNX internals InChI (mnx) InChI=1/C12H22N3O7P/c1-6(10(17)14-7(2)12(19)20)13-11(18)9(15-8(3)16)4-5-23(21)22/h6-7,9,23H,4-5H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)(H,19,20)(H,21,22)/t6-,7-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:6]([C:10](=[N:14][C@@H:7]([CH3:2])[C:12](=[O:19])[OH:20])[OH:17])[N:13]=[C:11]([C@H:9]([CH2:4][CH2:5][PH:23]([OH:21])=[O:22])[N:15]=[C:8]([CH3:3])[OH:16])[OH:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0