Asn-Ala-His

Properties Image MNX_ID MNXM1122101 reference chebi:159490 formula C13H20N6O5 global charge 0 mol weight 340.34 InChIKey NXVGBGZQQFDUTM-XVYDVKMFSA-N InChI InChI=1S/C13H20N6O5/c1-6(18-12(22)8(14)3-10(15)20)11(21)19-9(13(23)24)2-7-4-16-5-17-7/h4-6,8-9H,2-3,14H2,1H3,(H2,15,20)(H,16,17)(H,18,22)(H,19,21)(H,23,24)/t6-,8-,9-/m0/s1 SMILES C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C13H20N6O5/c1-6(18-12(22)8(14)3-10(15)20)11(21)19-9(13(23)24)2-7-4-16-5-17-7/h4-6,8-9H,2-3,14H2,1H3,(H2,15,20)(H,16,17)(H,18,22)(H,19,21)(H,23,24)/t6-,8-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:6]([C:11](=[N:19][C@@H:9]([CH2:2][C:7]1=[CH:4][N:16]=[CH:5][NH:17]1)[C:13](=[O:23])[OH:24])[OH:21])[N:18]=[C:12]([C@H:8]([CH2:3][C:10](=[NH:15])[OH:20])[NH2:14])[OH:22]

Parent-child relations graph

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