(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate

Properties Image MNX_ID MNXM1371701 reference chebi:57430 formula C16H25O7 global charge -3 mol weight 329.369 InChIKey DQIHPEKINXOMBM-WBMJQRKESA-K InChI InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-3/t12-,16+/m1/s1 SMILES CCCCCCCCCC[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t12-,16+/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:12]([C:14](=[O:19])[OH:20])[C@@:16]([CH2:11][C:13](=[O:17])[OH:18])([C:15](=[O:21])[OH:22])[OH:23]

Parent-child relations graph

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