Molecule ID: 23615271

IUPAC Name: [(3R,4S)-3,4-dihydroxy-5-methylsulfanyl-2-oxopentyl] phosphate

Description: The molecule is dianion of S-methyl-5-thio-D-ribulose 1-phosphate. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a S-methyl-5-thio-D-ribulose 1-phosphate.

SMILES: CSC[C@@H](O)[C@@H](O)C(=O)COP(=O)([O-])[O-]

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

InChI: InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/p-2/t5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: -2.6