beta-D-galactopyranuronic acid
PubChem CID: 441476
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| Compound Synonyms | BETA-D-GALACTOPYRANURONIC ACID, 18968-14-4, beta-D-galacturonic acid, 55NG3O9NDD, UNII-55NG3O9NDD, (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid, CHEBI:47954, Galactopyranuronic acid, beta-D-, .BETA.-D-GALACTOPYRANURONIC ACID, D-(+)Glucuronic acid, GALACTOPYRANURONIC ACID, .BETA.-D-, oligogalacturonide, SCHEMBL3407163, AEMOLEFTQBMNLQ-DTEWXJGMSA-N, ?-D-GALACTOPYRANURONIC ACID, MFCD00006618, DB03652, NS00069811, C08348, (2S,3R,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid, (2S,3R,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxylicacid |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 13.0 |
| Description | Pectin is a heterosaccharide derived from the cell wall of plants. Pectins vary in their chain lengths, complexity and the order of each of the monosaccharide units. The characteristic structure of pectin is a linear chain of alpha(1-4)linked D-galacturonic acid that forms the pectin-backbone, a homogalacturonan. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Enzyme Uniprot Id | P06133, P22310, P16662, P22309, O60656, P19224 |
| Uniprot Id | P06133, P22310, P16662, P22309, O60656, P19224 |
| Iupac Name | (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Xlogp | -2.3 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar acids and derivatives |
| Molecular Formula | C6H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEMOLEFTQBMNLQ-DTEWXJGMSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -0.036 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | -1.875 |
| Synonyms | 2,3,4,5-Tetrahydroxypentanal, D-Lyxose, DL-Xylose, L-Lyxose, L(+)-Xylose, Lyxose, Pectin, Pectin sugar, Trobicin, (+)-Xylose, Pectinose, Pentose, Pectinic acid, Calcium pectinate, Methoxy pectin, Methoxylpectin, Methoxypectin, Zinc pectinate, Galacturonate, b-D-Galacturonate, b-D-Galacturonic acid, beta-D-Galacturonate, Β-D-galacturonate, Β-D-galacturonic acid, b-D-Galactopyranuronate, b-D-Galactopyranuronic acid, beta-D-Galactopyranuronate, Β-D-galactopyranuronate, Β-D-galactopyranuronic acid |
| Substituent Name | Glucuronic acid or derivatives, Pyran carboxylic acid, Pyran carboxylic acid or derivatives, Beta-hydroxy acid, Pyran, Oxane, Monosaccharide, Hydroxy acid, Secondary alcohol, Polyol, Hemiacetal, 1,2-diol, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Ether, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Carbonyl group, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | beta-D-galactopyranuronic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 194.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | 0.4965382 |
| Inchi | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1 |
| Smiles | [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Glucuronic acid derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Wilsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all