Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:15:42 UTC |
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Update date | 2019-11-26 03:20:25 UTC |
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Primary ID | FDB021453 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Pectic acid |
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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. |
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CAS Number | 9046-40-6 |
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Structure | |
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Synonyms | Synonym | Source |
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alpha-D-GalA-(1->4)-alpha-D-gala-(1->4)-alpha-D-gala | ChEBI | alpha-D-Galacturonosyl-(1->4)-alpha-D-galacturonosyl-(1->4)-alpha-D-galactnuronic acid | ChEBI | Pectin trisaccharide | ChEBI | Trigalacturonic acid | ChEBI | a-D-GalA-(1->4)-a-D-gala-(1->4)-a-D-gala | Generator | Α-D-gala-(1->4)-α-D-gala-(1->4)-α-D-gala | Generator | a-D-Galacturonosyl-(1->4)-a-D-galacturonosyl-(1->4)-a-D-galactnuronate | Generator | a-D-Galacturonosyl-(1->4)-a-D-galacturonosyl-(1->4)-a-D-galactnuronic acid | Generator | alpha-D-Galacturonosyl-(1->4)-alpha-D-galacturonosyl-(1->4)-alpha-D-galactnuronate | Generator | Α-D-galacturonosyl-(1->4)-α-D-galacturonosyl-(1->4)-α-D-galactnuronate | Generator | Α-D-galacturonosyl-(1->4)-α-D-galacturonosyl-(1->4)-α-D-galactnuronic acid | Generator | Trigalacturonate | Generator | Pectate | Generator | alpha-GalA-gala-gala | MeSH | GalA-gala-gala | MeSH | GalA-(1-4)-gala-(1-4)-gala | MeSH | O-Galactopyranosyluronic acid-(1-4)-O-galactopyranosyluronic acid-(1-4)-galactopyranosyluronic acid | MeSH | beta-GalA-gala-gala | MeSH | a-D-GalpA-(1->4)-a-D-galpa-(1->4)-a-D-galpa | Generator | α-D-galpa-(1->4)-α-D-galpa-(1->4)-α-D-galpa | Generator | (1,4-alpha-D-Galacturonide)n | biospider | (1,4-alpha-D-Galacturonosyl)n | biospider | alpha-D-Polygalacturonic acid | biospider | alpha-delta-Galactopyranuronic acid | HMDB | alpha-delta-Galacturonic acid | HMDB | alpha-delta-Polygalacturonic acid | HMDB | Calcium pectate | HMDB | Calcium polygalacturonate | HMDB | D-Galacturonan | HMDB | delta-Galacturonan | HMDB | delta-Galacturonate | HMDB | delta-Galacturonic acid | HMDB | Galacturonan | HMDB | Galacturonate | HMDB | Galacturonic acid, homopolymer | biospider | Pectinic acid | db_source | Poly(1,4-alpha-D-galacturonate) | biospider | Poly(1,4-alpha-D-galacturonate)(n) | biospider | Poly(1,4-alpha-delta-galacturonate) | HMDB | Polygalacturonic acid | biospider | Sodium pectate | HMDB | Sulfated polygalacturonic acid | HMDB |
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Predicted Properties | |
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Chemical Formula | C18H26O19 |
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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 |
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InChI Identifier | 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 |
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InChI Key | LCLHHZYHLXDRQG-MKJFYJHKSA-N |
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Isomeric SMILES | O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O |
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Average Molecular Weight | 546.3876 |
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Monoisotopic Molecular Weight | 546.10682865 |
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Classification |
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Description | Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Oligosaccharides |
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Alternative Parents | |
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Substituents | - Oligosaccharide
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- Glycosyl compound
- O-glycosyl compound
- Tricarboxylic acid or derivatives
- Beta-hydroxy acid
- Hydroxy acid
- Pyran
- Oxane
- Hemiacetal
- Secondary alcohol
- Organoheterocyclic compound
- Acetal
- Oxacycle
- Carboxylic acid
- Carboxylic acid derivative
- Polyol
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | Not Available |
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External Links |
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ChemSpider ID | 393411 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C00470 |
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Pubchem Compound ID | 445929 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | DB03511 |
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HMDB ID | HMDB03363 |
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CRC / DFC (Dictionary of Food Compounds) ID | NXB95-A:NXB95-A |
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EAFUS ID | 2882 |
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Dr. Duke ID | PECTIC-ACID|PECTIN|PECTINS|POLYGALACTURONIC-ACID|POLYGALACTURONATE |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | ADA |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Pectic_acid |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | |
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Enzymes | Name | Gene Name | UniProt ID |
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UDP-glucuronosyltransferase 2B4 | UGT2B4 | P06133 | UDP-glucuronosyltransferase 1-4 | UGT1A4 | P22310 | UDP-glucuronosyltransferase 2B7 | UGT2B7 | P16662 | UDP-glucuronosyltransferase 1-1 | UGT1A1 | P22309 | UDP-glucuronosyltransferase 1-9 | UGT1A9 | O60656 | UDP-glucuronosyltransferase 1-6 | UGT1A6 | P19224 |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | show |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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