Molecule ID: 90657331

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

Description: The molecule is a ketopentose phosphate that is D-ribulose 5-phosphate in which the 1-hydroxy group is replaced by a methylthio group. It has a role as a bacterial metabolite. It is a ketopentose phosphate, a thiosugar and a methyl sulfide. It derives from a D-ribulose. It is a conjugate acid of a 1-(methylthio)ribulose 5-phosphate(2-).

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

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

InChI: InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h4,6-7,9H,2-3H2,1H3,(H2,10,11,12)/t4-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -2.4