S-Allylmercapturic acid

Properties Image MNX_ID MNXM1130036 reference hmdb:HMDB0240556 formula C8H13NO3S global charge 0 mol weight 203.263 InChIKey LKRAEHUDIUJBSF-SSDOTTSWSA-N InChI InChI=1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m1/s1 SMILES C=CCSC[C@@H](N=C(C)O)C(=O)O MNX internals InChI (mnx) InChI=1/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m1/s1 SMILES (mnx) [CH2:1]=[CH:3][CH2:4][S:13][CH2:5][C@H:7]([C:8](=[O:11])[OH:12])[N:9]=[C:6]([CH3:2])[OH:10]

Parent-child relations graph

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