Metabolomics Structure Database
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MW REGNO: | 148025 |
Common Name: | alpha-D-galacturonic acid |
Systematic Name: | (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
RefMet Name: | alpha-D-galacturonic acid |
Synonyms: | alpha-D-galactopyranuronic acid; ?-D-galactopyranuronic acid; ?-D-galacturonic acid [PubChem Synonyms] |
Exact Mass: | |
Formula: | C6H10O7 |
InChIKey: | AEMOLEFTQBMNLQ-BKBMJHBISA-N |
ClassyFire superclass: | Organic oxygen compounds [C0004603] |
ClassyFire class: | Organooxygen compounds [C0000323] |
ClassyFire subclass: | Carbohydrates and carbohydrate conjugates [C0000011] |
ClassyFire direct parent: | Sugar acids and derivatives [C0000215] |
NP-MRD NMR spectra: | View NMR spectra |
SMILES: | [C@@H]1([C@H]([C@@H](C(=O)O)O[C@@H]([C@@H]1O)O)O)O |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 445929 |
CHEBI ID: | 33885 |
HMDB ID: | HMDB0003363 |
Drugbank ID: | DB03511 |
NP-MRD ID(NMR): | NP0002658 |
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