Metabolomics Structure Database
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MW REGNO: | 51970 |
Common Name: | (-)-quinic acid |
Systematic Name: | (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate;1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate |
RefMet Name: | Quinic acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C7H12O6 |
InChIKey: | AAWZDTNXLSGCEK-WYWMIBKRSA-N |
LIPID MAPS Category: | Polyketides |
LIPID MAPS mainclass: | Phenolic acids |
LIPID MAPS subclass: | Phenolic acids |
Massbank MS spectra: | View MS spectra |
SMILES: | C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 6508 |
CHEBI ID: | 17521 |
HMDB ID: | HMDB0003072 |
KEGG ID: | C00296 |
Plant Metabolite Hub(Pmhub): | MS000000319 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y