2-mercapto-octadecanoic acid

Properties Image MNX_ID MNXM25600 reference chebi:169800 formula C18H36O2S global charge 0 mol weight 316.551 InChIKey FTGROEQKMLQQEP-UHFFFAOYSA-N InChI InChI=1S/C18H36O2S/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21/h21H,1-17H2,(H,19,20) SMILES O=C(O)CCCCCCCCCCCCCCCCCS MNX internals InChI (mnx) InChI=1/C18H36O2S/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21/h21H,1-17H2,(H,19,20) SMILES (mnx) [CH2:1]([CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][C:18](=[O:19])[OH:20])[CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][SH:21]

Parent-child relations graph

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