Molecule ID: 5460236

IUPAC Name: (2S)-2-amino-4-oxo-4-phosphonatooxybutanoate

Description: The molecule is an L-alpha-amino acid anion arsing from deprotonation of the carboxy and phosphate OH groups of 4-phospho-L-aspartic acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a L-aspartate(2-). It is a conjugate base of a 4-phospho-L-aspartic acid.

SMILES: N[C@@H](CC(=O)OP(=O)([O-])[O-])C(=O)[O-]

SELFIES: [N][C@@H1][Branch1][#C][C][C][=Branch1][C][=O][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/p-3/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -4.7