Gln-Asp-Asn

Properties Image MNX_ID MNXM1124580 reference chebi:161985 formula C13H21N5O8 global charge 0 mol weight 375.338 InChIKey QYTKAVBFRUGYAU-ACZMJKKPSA-N InChI InChI=1S/C13H21N5O8/c14-5(1-2-8(15)19)11(23)17-6(4-10(21)22)12(24)18-7(13(25)26)3-9(16)20/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,23)(H,18,24)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1 SMILES NC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H21N5O8/c14-5(1-2-8(15)19)11(23)17-6(4-10(21)22)12(24)18-7(13(25)26)3-9(16)20/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,23)(H,18,24)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:8](=[NH:15])[OH:19])[C@@H:5]([C:11](=[N:17][C@@H:6]([CH2:4][C:10](=[O:21])[OH:22])[C:12](=[N:18][C@@H:7]([CH2:3][C:9](=[NH:16])[OH:20])[C:13](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:14]

Parent-child relations graph

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