Cys-Glu-Glu

Properties Image MNX_ID MNXM1123911 reference chebi:161313 formula C13H21N3O8S global charge 0 mol weight 379.391 InChIKey UDPSLLFHOLGXBY-FXQIFTODSA-N InChI InChI=1S/C13H21N3O8S/c14-6(5-25)11(21)15-7(1-3-9(17)18)12(22)16-8(13(23)24)2-4-10(19)20/h6-8,25H,1-5,14H2,(H,15,21)(H,16,22)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H21N3O8S/c14-6(5-25)11(21)15-7(1-3-9(17)18)12(22)16-8(13(23)24)2-4-10(19)20/h6-8,25H,1-5,14H2,(H,15,21)(H,16,22)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH2:1]([CH2:3][C:9](=[O:17])[OH:18])[C@@H:7]([C:12](=[N:16][C@@H:8]([CH2:2][CH2:4][C:10](=[O:19])[OH:20])[C:13](=[O:23])[OH:24])[OH:22])[N:15]=[C:11]([C@H:6]([CH2:5][SH:25])[NH2:14])[OH:21]

Parent-child relations graph

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