Molecule ID: 25245028

IUPAC Name: (2S)-2-acetamido-6-oxo-6-phosphonatooxyhexanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion arising from deprotonation of the carboxy and phosphate OH groups of N-acetyl-L-2-aminoadipic acid 6-phosphate; major species at pH 7.3. It is a N-acyl-L-alpha-amino acid anion and an organophosphate oxoanion. It is a conjugate base of a N-acetyl-L-2-aminoadipic acid 6-phosphate.

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

SELFIES: [C][C][Branch1][C][O-1][=N][C@@H1][Branch1][P][C][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/C8H14NO8P/c1-5(10)9-6(8(12)13)3-2-4-7(11)17-18(14,15)16/h6H,2-4H2,1H3,(H,9,10)(H,12,13)(H2,14,15,16)/p-3/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -1.4