Molecule ID: 15942880

IUPAC Name: (4R,5R,6R,7R)-4,5,6,7-tetrahydroxy-2-oxo-8-phosphonooxyoctanoic acid

Description: The molecule is a ketoaldonic acid phosphate consisting of 3-deoxy-D-manno-oct-2-ulosonic acid having a phospho group at the 8-position. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an 8-phosphonato-3-deoxy-D-manno-oct-2-ulosonate(3-).

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

SELFIES: [O][=C][Branch1][C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C@@H1][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/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1

Molecular Properties:
- Polar Surface Area: 202.0 Ų
- LogP: -4.6