(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylate

Properties Image MNX_ID MNXM4179 reference chebi:57435 formula C17H27O7 global charge -3 mol weight 343.396 InChIKey QFOFNCNFUGQWTO-DYVFJYSZSA-K InChI InChI=1S/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/p-3/t13-,17+/m1/s1 SMILES CCCCCCCCCC[C@H](C(=O)[O-])[C@@](O)(CCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t13-,17+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C@H:13]([C:15](=[O:20])[OH:21])[C@@:17]([CH2:12][CH2:11][C:14](=[O:18])[OH:19])([C:16](=[O:22])[OH:23])[OH:24]

Parent-child relations graph

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