2-amino-3-carboxymuconate-6-semialdehyde

Properties Image MNX_ID MNXM1364154 reference metacycM:2-AMINO-3-3-OXOPROP-2-ENYL-BUT-2-ENEDI formula C7H6NO5 global charge -1 mol weight 184.127 InChIKey KACPVQQHDVBVFC-PMRVSPHWSA-M InChI InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-1/b2-1+,5-4+ SMILES [NH3+]/C(C(=O)[O-])=C(\C=C\C=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/b2-1+,5-4+ SMILES (mnx) [CH:1](=[CH:2]/[C:4](=[C:5](/[C:7](=[O:12])[OH:13])[NH2:8])[C:6](=[O:10])[OH:11])\[CH:3]=[O:9]

Parent-child relations graph

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