Molecule ID: 160603

IUPAC Name: (2S)-2-amino-6-oxohexanoic acid

Description: The molecule is an optically active form of allysine having L-configuration. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is an allysine, a non-proteinogenic L-alpha-amino acid and an aminoadipate semialdehyde. It is a tautomer of a L-allysine zwitterion.

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

SELFIES: [N][C@@H1][Branch1][=Branch1][C][C][C][C][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -3.2