Gln-Asp-Thr

Properties Image MNX_ID MNXM1124608 reference chebi:162013 formula C13H22N4O8 global charge 0 mol weight 362.339 InChIKey UICOTGULOUGGLC-NUMRIWBASA-N InChI InChI=1S/C13H22N4O8/c1-5(18)10(13(24)25)17-12(23)7(4-9(20)21)16-11(22)6(14)2-3-8(15)19/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1 SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H22N4O8/c1-5(18)10(13(24)25)17-12(23)7(4-9(20)21)16-11(22)6(14)2-3-8(15)19/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1 SMILES (mnx) [CH3:1][C@H:5]([C@@H:10]([C:13](=[O:24])[OH:25])[N:17]=[C:12]([C@H:7]([CH2:4][C:9](=[O:20])[OH:21])[N:16]=[C:11]([C@H:6]([CH2:2][CH2:3][C:8](=[NH:15])[OH:19])[NH2:14])[OH:22])[OH:23])[OH:18]

Parent-child relations graph

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