| 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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| Not Available | Not Available |
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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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