dihomocitrate

Properties Image MNX_ID MNXM1369582 reference metacycM:CPD-152 formula C8H9O7 global charge -3 mol weight 217.153 InChIKey LOUWLTSPEXZLSA-QMMMGPOBSA-K InChI InChI=1S/C8H12O7/c9-5(10)2-1-3-8(15,7(13)14)4-6(11)12/h15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)/p-3/t8-/m0/s1 SMILES O=C([O-])CCC[C@](O)(CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H12O7/c9-5(10)2-1-3-8(15,7(13)14)4-6(11)12/h15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)/t8-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:5](=[O:9])[OH:10])[CH2:3][C@:8]([CH2:4][C:6](=[O:11])[OH:12])([C:7](=[O:13])[OH:14])[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0