Met-Gln-Tyr

Properties Image MNX_ID MNXM744795 reference chebi:160682 formula C19H28N4O6S global charge 0 mol weight 440.522 InChIKey QMIXOTQHYHOUJP-KKUMJFAQSA-N InChI InChI=1S/C19H28N4O6S/c1-30-9-8-13(20)17(26)22-14(6-7-16(21)25)18(27)23-15(19(28)29)10-11-2-4-12(24)5-3-11/h2-5,13-15,24H,6-10,20H2,1H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O MNX internals InChI (mnx) InChI=1/C19H28N4O6S/c1-30-9-8-13(20)17(26)22-14(6-7-16(21)25)18(27)23-15(19(28)29)10-11-2-4-12(24)5-3-11/h2-5,13-15,24H,6-10,20H2,1H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1 SMILES (mnx) [CH3:1][S:30][CH2:9][CH2:8][C@@H:13]([C:17](=[N:22][C@@H:14]([CH2:6][CH2:7][C:16](=[NH:21])[OH:25])[C:18](=[N:23][C@@H:15]([CH2:10][C:11]1=[CH:3][CH:5]=[C:12]([OH:24])[CH:4]=[CH:2]1)[C:19](=[O:28])[OH:29])[OH:27])[OH:26])[NH2:20]

Parent-child relations graph

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