alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA
PubChem CID: 5287609
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| Compound Synonyms | alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA, CHEBI:62969, CHEBI:82691, Q27156224, alpha-D-galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronic acid |
|---|---|
| Topological Polar Surface Area | 320.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Inchi Key | LCLHHZYHLXDRQG-MKJFYJHKSA-N |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| 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 |
| Synonyms | (1,4-alpha-D-Galacturonide)n, (1,4-alpha-D-Galacturonosyl)n, alpha-D-Polygalacturonic acid, alpha-delta-Galactopyranuronic acid, alpha-delta-Galacturonic acid, alpha-delta-Polygalacturonic acid, Calcium pectate, Calcium polygalacturonate, D-Galacturonan, delta-Galacturonan, delta-Galacturonate, delta-Galacturonic acid, Galacturonan, Galacturonate, Galacturonic acid, homopolymer, Pectate, Pectinic acid, Poly(1,4-alpha-D-galacturonate), Poly(1,4-alpha-D-galacturonate)(n), Poly(1,4-alpha-delta-galacturonate), Polygalacturonic acid, Sodium pectate, Sulfated polygalacturonic acid |
| Heavy Atom Count | 37.0 |
| Compound Name | alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA |
| Kingdom | Organic compounds |
| Description | Present in cell walls of all plant tissues. Up to 30% w/w of this polysaccharide can be isolated from orange and lemon rind. It is used in food processing as a gelling agent, stabiliser, thickener and emusifier [DFC] Pectic acid, also known as polygalacturonic acid, is a water insoluble, transparent gelatinous acid existing in ripe fruit and some vegetables. It is a product of pectin degradation in plants, and is produced via the interaction between pectinase and pectin (the latter being common in the wine-making industry). [Wikipedia]. Pectic acid is found in many foods, some of which are cottonseed, calabash, date, and apple. |
| Exact Mass | 546.107 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 546.107 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 853.0 |
| Hydrogen Bond Acceptor Count | 19.0 |
| Molecular Weight | 546.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Enzyme Uniprot Id | P06133, P22310, P16662, P22309, O60656, P19224 |
| Defined Atom Stereocenter Count | 15.0 |
| Iupac Name | (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Inchi | InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17-,18-/m0/s1 |
| Smiles | [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O)O)O |
| Xlogp | -6.1 |
| Superclass | Organooxygen compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Sugar acids and derivatives |
| Molecular Formula | C18H26O19 |
- 1. Outgoing r'ship
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