homoisoalliin

Properties Image MNX_ID MNXM18532 reference metacycM:CPD-13604 formula C7H13NO3S global charge 0 mol weight 191.252 InChIKey SNXJMSVHWSIWAN-DAWATQQYSA-N InChI InChI=1S/C7H13NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h3-4,6H,2,5,8H2,1H3,(H,9,10)/b4-3+/t6-,12?/m0/s1 SMILES CC/C=C/S(=O)C[C@H]([NH3+])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H13NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h3-4,6H,2,5,8H2,1H3,(H,9,10)/b4-3+/t6-,12?/m0/s1 SMILES (mnx) [CH3:1][CH2:2]/[CH:3]=[CH:4]/[S:12]([CH2:5][C@@H:6]([C:7](=[O:9])[OH:10])[NH2:8])=[O:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0