Molecule ID: 160647

IUPAC Name: (4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonooxyheptanoic acid

Description: The molecule is a ketoaldonic acid phosphate consisting of 2-dehydro-3-deoxy-D-arabino-heptonic acid having a phospho group at the 7-position. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate.

SMILES: O=C(O)C(=O)C[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][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)/t3-,5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 182.0 Ų
- LogP: -4.0