| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:00:49 UTC |
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| Update Date | 2020-05-05 18:40:22 UTC |
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| BMDB ID | BMDB0002545 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Galacturonic acid |
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| Description | Aldehydo-D-galacturonate, also known as D-galacturonic acid or calcium pectate, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Aldehydo-D-galacturonate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Aldehydo-D-galacturonate exists in all living species, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid | ChEBI | | D-Galacturonic acid | ChEBI | | (2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoate | Generator | | D-Galacturonate | Generator | | Galacturonate | Generator | | DL-Galacturonic acid | HMDB | | D-Galactopyranuronic acid | HMDB | | Galacturonic acid, (D)-isomer | HMDB | | Galacturonic acid, (alpha-D)-isomer | HMDB | | Galacturonic acid, calcium, sodium salt, (D)-isomer | HMDB | | Galacturonic acid, monosodium salt, (D)-isomer | HMDB | | Aldehydo-D-galacturonate | HMDB | | Polygalacturonic acid, aluminum salt | HMDB | | Sodium pectate | HMDB | | Galacturonan | HMDB | | Homogalacturonan | HMDB | | Pectic acid | HMDB | | Polygalacturonic acid homopolymer | HMDB | | Polygalacturonic acid, sulfated | HMDB | | Calcium polygalacturonate | HMDB | | Pectate | HMDB | | Polygalacturonic acid | HMDB | | Polygalacturonic acid, calcium salt | HMDB | | Polygalacturonic acid, homopolymer sodium salt | HMDB | | Sodium polygalacturonate | HMDB | | Anhydrogalacturonic acid | HMDB | | Calcium pectate | HMDB | | Polygalacturonic acid, homopolymer (D)-isomer | HMDB | | Aldehydo-D-galacturonic acid | HMDB | | (DL)-Galacturonic acid | HMDB | | (D)-Galacturonic acid | HMDB | | Galacturonic acid | MeSH |
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| Chemical Formula | C6H10O7 |
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| Average Molecular Weight | 194.1394 |
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| Monoisotopic Molecular Weight | 194.042652674 |
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| IUPAC Name | (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid |
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| Traditional Name | aldehydo-D-galacturonic acid |
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| CAS Registry Number | 14982-50-4 |
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| SMILES | O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O |
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| InChI Identifier | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1 |
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| InChI Key | IAJILQKETJEXLJ-RSJOWCBRSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. |
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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 | Glucuronic acid derivatives |
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| Alternative Parents | |
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| Substituents | - Glucuronic acid or derivatives
- Hexose monosaccharide
- Medium-chain hydroxy acid
- Medium-chain fatty acid
- Beta-hydroxy acid
- Hydroxy fatty acid
- Monosaccharide
- Fatty acyl
- Hydroxy acid
- Fatty acid
- Alpha-hydroxy acid
- Beta-hydroxy aldehyde
- Alpha-hydroxyaldehyde
- Secondary alcohol
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Aldehyde
- Carbonyl group
- Alcohol
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| General References | - Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. [PubMed:23438684 ]
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