Ile-Ser-Met

Properties Image MNX_ID MNXM1121364 reference chebi:158752 formula C14H27N3O5S global charge 0 mol weight 349.453 InChIKey QQVXERGIFIRCGW-NAKRPEOUSA-N InChI InChI=1S/C14H27N3O5S/c1-4-8(2)11(15)13(20)17-10(7-18)12(19)16-9(14(21)22)5-6-23-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t8-,9-,10-,11-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)O MNX internals InChI (mnx) InChI=1/C14H27N3O5S/c1-4-8(2)11(15)13(20)17-10(7-18)12(19)16-9(14(21)22)5-6-23-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t8-,9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:8]([CH3:2])[C@@H:11]([C:13](=[N:17][C@@H:10]([CH2:7][OH:18])[C:12](=[N:16][C@@H:9]([CH2:5][CH2:6][S:23][CH3:3])[C:14](=[O:21])[OH:22])[OH:19])[OH:20])[NH2:15]

Parent-child relations graph

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