Compound: quinate
SMILES: O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@@H](C1)O
InChIKey: AAWZDTNXLSGCEK-WYWMIBKRSA-N
Synonyms: quinate, (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid, RefChem:871925, CHEBI:26490, 7729-33-1, quinic acid, 77-95-2, D-(-)-Quinic acid, (-)-quinic acid, Chinic acid, Kinic acid, Chinasaure, D-QUINIC ACID, L-Quinic acid, D(-)-Quinic acid, L-Quinate, MFCD00003864, (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, (3r,5r)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid, NSC1115, SpecPlus_000419, NSC59258, (-)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, DivK1c_006515, 058C04BGYI, Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)-, CHEBI:17521, NSC-59258, Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1R-(1-alpha,3-alpha,4-alpha,5-beta))-, SDCCGMLS-0066613.P001, D-(-)-Kinic Acid, (1alpha,3R,4alpha,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (1R-(1alpha,3alpha,4alpha,5beta), Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-, Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1theta-(1alpha,3alpha,4alpha,5beta))-, 1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylic acid, Quinicacid, Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1alpha,3R,4alpha,5R)-, 36413-60-2, EINECS 201-072-8, NSC 59258, UNII-058C04BGYI, Chinate, Kinate, quinine acid, 1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate, Rel-Quinic Acid, 4gui, 4iuo, Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1.alpha.,3R,4.alpha.,5R)-, (-)Quinic acid, QIC, D-(-)-Quinic-acid, Spectrum_001413, Spectrum2_001790, Spectrum3_001349, Spectrum4_001867, Spectrum5_000434, QUINIC ACID [MI], bmse000306, SCHEMBL39556, BSPBio_003137, KBioGR_002336, KBioSS_001893, SPECTRUM310018, MLS002207201, QUINIC ACID [USP-RS], QUINIC ACID [WHO-DD], SPBio_001719, CHEMBL465398, MEGxp0_001735, SCHEMBL1286207, SCHEMBL7923331, D-(-)-Quinic acid, 98%, ACon1_001963, D-(-)-Quinic acid (Standard), HY-N0464R, KBio1_001459, KBio2_001893, KBio2_004461, KBio2_007029, KBio3_002357, DTXSID70998288, HMS3885A12, HY-N0464, MSK40055, NSC-1115, BBL033519, BDBM50485632, CCG-38438, EBC-44261, s3886, STK801928, (-) Quinic acid, analytical standard, AKOS005622501, FQ15911, NCGC00178246-01, NCGC00178246-02, BP-12304, DA-62619, PD087258, SMR001306762, SY010828, VS-12119, CS-0008991, Q0009, C00296, D-(-)-Quinic acid, purum, >=98.0% (T), EN300-197153, H10089, F498946, Q424931, 883DE888-EC82-454C-B69C-8B1F9AC6DAA9, Z1255382952, (1R,3R,4R,5R)-(-)-Tetrahydroxycyclohexanecarboxylic acid, (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylicacid, (1|_,3R,4|_,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, (1|A,3R,4|A,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, (3R,5R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, Quinic acid, United States Pharmacopeia (USP) Reference Standard, (-)-QUINIC ACID (CONSTITUENT OF CRANBERRY LIQUID PREPARATION) [DSC], Quinic Acid, Pharmaceutical Secondary Standard; Certified Reference Material, Cyclohexanecarboxylic acid,3,4,5-tetrahydroxy-, (1.alpha.,3.alpha.,4.alpha.,5.beta.)-, Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1.alpha., 3.alpha.,4.alpha.,5.beta.)-
Theoretical properties:
molecular_formula: C7H12O6
molecular_weight: 192.17 g/mol
exact_mass: 192.06338810 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 1
heavy_atom_count: 13
topological_polar_surface_area: 118 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: (-)-quinic acid is the ()-enantiomer of quinic acid. It is a conjugate acid of a (-)-quinate. It is an enantiomer of a (+)-quinic acid.
chebi: The (−)-enantiomer of quinic acid.
chembl: QUINIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Quinic acid is an organic compound with the formula (CHOH)3(CH2)2C(OH)CO2H.  The compound is classified as a cyclitol, a cyclic polyol, and a cyclohexanecarboxylic acid. It is a colorless solid that can be extracted from plant sources.