Pro-Cys-Thr

Properties Image MNX_ID MNXM1124804 reference chebi:162210 formula C12H21N3O5S global charge 0 mol weight 319.383 InChIKey XJROSHJRQTXWAE-XGEHTFHBSA-N InChI InChI=1S/C12H21N3O5S/c1-6(16)9(12(19)20)15-11(18)8(5-21)14-10(17)7-3-2-4-13-7/h6-9,13,16,21H,2-5H2,1H3,(H,14,17)(H,15,18)(H,19,20)/t6-,7+,8+,9+/m1/s1 SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O5S/c1-6(16)9(12(19)20)15-11(18)8(5-21)14-10(17)7-3-2-4-13-7/h6-9,13,16,21H,2-5H2,1H3,(H,14,17)(H,15,18)(H,19,20)/t6-,7+,8+,9+/m1/s1 SMILES (mnx) [CH3:1][C@H:6]([C@@H:9]([C:12](=[O:19])[OH:20])[N:15]=[C:11]([C@H:8]([CH2:5][SH:21])[N:14]=[C:10]([C@@H:7]1[CH2:3][CH2:2][CH2:4][NH:13]1)[OH:17])[OH:18])[OH:16]

Parent-child relations graph

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