Molecule ID: 49791954

IUPAC Name: (2S)-2-[[(5S)-5-azaniumyl-5-carboxylatopentyl]azaniumyl]pentanedioate

Description: The molecule is the conjugate base of L-saccharopine arising from deprotonation of all three carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an alpha-amino-acid anion and a tricarboxylic acid anion. It is a conjugate base of a L-saccharopine.

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

SELFIES: [N][C@@H1][Branch2][Ring1][Branch1][C][C][C][C][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/p-1/t7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: -3.6