Asn-Asp-Gln

Properties Image MNX_ID MNXM1122213 reference chebi:159604 formula C13H21N5O8 global charge 0 mol weight 375.338 InChIKey CUQUEHYSSFETRD-ACZMJKKPSA-N InChI InChI=1S/C13H21N5O8/c14-5(3-9(16)20)11(23)18-7(4-10(21)22)12(24)17-6(13(25)26)1-2-8(15)19/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,24)(H,18,23)(H,21,22)(H,25,26)/t5-,6-,7-/m0/s1 SMILES NC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H21N5O8/c14-5(3-9(16)20)11(23)18-7(4-10(21)22)12(24)17-6(13(25)26)1-2-8(15)19/h5-7H,1-4,14H2,(H2,15,19)(H2,16,20)(H,17,24)(H,18,23)(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:6]([C:13](=[O:25])[OH:26])[N:17]=[C:12]([C@H:7]([CH2:4][C:10](=[O:21])[OH:22])[N:18]=[C:11]([C@H:5]([CH2:3][C:9](=[NH:16])[OH:20])[NH2:14])[OH:23])[OH:24]

Parent-child relations graph

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