Ala-His-Glu

Properties Image MNX_ID MNXM1120829 reference chebi:158214 formula C14H21N5O6 global charge 0 mol weight 355.351 InChIKey GRPHQEMIFDPKOE-HGNGGELXSA-N InChI InChI=1S/C14H21N5O6/c1-7(15)12(22)19-10(4-8-5-16-6-17-8)13(23)18-9(14(24)25)2-3-11(20)21/h5-7,9-10H,2-4,15H2,1H3,(H,16,17)(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t7-,9-,10-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H21N5O6/c1-7(15)12(22)19-10(4-8-5-16-6-17-8)13(23)18-9(14(24)25)2-3-11(20)21/h5-7,9-10H,2-4,15H2,1H3,(H,16,17)(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t7-,9-,10-/m0/s1 SMILES (mnx) [CH3:1][C@@H:7]([C:12](=[N:19][C@@H:10]([CH2:4][C:8]1=[CH:5][N:16]=[CH:6][NH:17]1)[C:13](=[N:18][C@@H:9]([CH2:2][CH2:3][C:11](=[O:20])[OH:21])[C:14](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:15]

Parent-child relations graph

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