Eglumetad (USAN)

Properties Image MNX_ID MNXM155664 reference keggD:D03966 formula C8H13NO5 global charge 0 mol weight 203.194 InChIKey XJPQOSJARVVBIU-PLFKSMQJSA-N InChI InChI=1S/C8H11NO4.H2O/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11;/h3-5H,1-2,9H2,(H,10,11)(H,12,13);1H2/t3-,4-,5-,8-;/m0./s1 SMILES N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21.O MNX internals InChI (mnx) InChI=1/C8H11NO4.H2O/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11;/h3-5H,1-2,9H2,(H,10,11)(H,12,13);1H2/t3-,4-,5-,8-;/m0./s1 SMILES (mnx) [CH2:1]1[CH2:2][C@:8]([C:7](=[O:12])[OH:13])([NH2:9])[C@H:5]2[C@@H:3]1[C@@H:4]2[C:6](=[O:10])[OH:11].[OH2:14]

Parent-child relations graph

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