Molecule ID: 7057976

IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate

Description: The molecule is a cyclohexenecarboxylate that is the conjugate base of shikimic acid. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a cyclohexenecarboxylate and a hydroxy monocarboxylic acid anion. It is a conjugate base of a shikimic acid.

SMILES: O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Ring1][=Branch2]

InChI: InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/p-1/t4-,5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: -1.1