Molecule ID: 49791951

IUPAC Name: (2S)-2-acetamido-5-oxo-5-phosphonatooxypentanoate

Description: The molecule is trianion of N-acetyl-L-gamma-glutamyl phosphate arising from deprotonation of carboxy and phosphate groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organophosphate oxoanion and a N-acyl-L-alpha-amino acid anion. It is a conjugate base of a N-acetyl-L-gamma-glutamyl phosphate.

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

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

InChI: InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/p-3/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -2.6