Molecule ID: 9548579

IUPAC Name: (Z)-2-amino-3-[(E)-3-oxoprop-1-enyl]but-2-enedioate

Description: The molecule is an oxo dicarboxylate and an alpha-amino-acid anion. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid and a 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-).

SMILES: N/C(C(=O)[O-])=C(/C=C/C=O)C(=O)[O-]

SELFIES: [N][/C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][Branch1][/C][=C][/C][=O][C][=Branch1][C][=O][O-1]

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-2/b2-1+,5-4-

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: 0.8