isocitrate(3-)

Properties Image MNX_ID MNXM89661 reference chebi:16087 formula C6H5O7 global charge -3 mol weight 189.099 InChIKey ODBLHEXUDAPZAU-UHFFFAOYSA-K InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3 SMILES O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2?,4? SMILES (mnx) [CH2:1]([CH:2]([CH:4]([C:6](=[O:12])[OH:13])[OH:9])[C:5](=[O:10])[OH:11])[C:3](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 28 in models (compartimentalized) 36