Molecule ID: 5462265

IUPAC Name: (2S,3R)-3-phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid

Description: The molecule is a L-threonine derivative. It has a role as a coenzyme. It is a conjugate acid of a coenzyme B(3-).

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

SELFIES: [C][C@@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][Branch1][=N][N][=C][Branch1][C][O][C][C][C][C][C][C][S][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: -0.3