2-hydroxyethiin

Properties Image MNX_ID MNXM148629 reference metacycM:CPD-17423 formula C5H11NO4S global charge 0 mol weight 181.213 InChIKey UVUXOAGEDRREKG-DPVSGNNYSA-N InChI InChI=1S/C5H11NO4S/c6-4(5(8)9)3-11(10)2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-,11?/m0/s1 SMILES [NH3+][C@@H](CS(=O)CCO)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C5H11NO4S/c6-4(5(8)9)3-11(10)2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-,11?/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][S:11]([CH2:3][C@@H:4]([C:5](=[O:8])[OH:9])[NH2:6])=[O:10])[OH:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0