cis-aconitate

Properties Image MNX_ID MNXM1092518 reference chebi:16383 formula C6H3O6 global charge -3 mol weight 171.084 InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-K InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1- SMILES O=C([O-])/C=C(/CC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1- SMILES (mnx) [CH:1](=[C:3](/[CH2:2][C:5](=[O:9])[OH:10])[C:6](=[O:11])[OH:12])\[C:4](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 26 in models (compartimentalized) 26