| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 05:53:55 UTC |
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| Update Date | 2016-11-09 01:15:56 UTC |
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| Accession Number | CHEM019191 |
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| Identification |
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| Common Name | Agaric acid |
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| Class | Small Molecule |
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| Description | An important thickener, stabiliser and gelling agent in the food industry
Agar consists of a mixture of agarose and agaropectin. Agarose is a linear polymer, of molecular weight about 120,000, based on the -(1->3)-?-D-galactopyranose-(1->4)-3,6-anhydro-?-L-galactopyranose unit, the major differences from carrageenans being the presence of L-3,6-anhydro-?-galactopyranose rather than D-3,6-anhydro-?-galactopyranose units and the lack of sulfate groups. Agaropectin is a heterogeneous mixture of smaller molecules that occur in lesser amounts. Their structures are similar but slightly branched and sulfated, and they may have methyl and pyruvic acid ketal substituents. They gel poorly and may be simply removed from the excellent gelling agarose molecules by using their charge. The quality of agar is improved by alkaline treatment that converts of any L-galactose-6-sulfate to 3,6-anhydro-L-galactose.; Agar is a heterogeneous mixture of two classes of polysaccharide: agaropectin and agarose. Although both polysaccharide classes share the same galactose-based backbone, agaropectin is heavily modified with acidic side-groups, such as sulfate and pyruvate. The neutral charge and lower degree of chemical complexity of agarose make it less likely to interact with biomolecules, such as proteins. Gels made from purified agarose have a relatively large pore size, making them useful for size-separation of large molecules, such as proteins or protein complexes >200 kilodaltons, or DNA fragments >100 basepairs. Agarose can be used for electrophoretic separation in agarose gel electrophoresis or for column-based gel filtration chromatography.; Agar or agar agar is a gelatinous substance derived from seaweed. Historically and in a modern context, it is chiefly used as an ingredient in desserts throughout Japan, but in the past century has found extensive use as a solid substrate to contain culture medium for microbiological work. The gelling agent is an unbranched polysaccharide obtained from the cell walls of some species of red algae, primarily from the genera Gelidium and Gracilaria, or seaweed (Sphaerococcus euchema). Commercially it is derived primarily from Gelidium amansii.; Agar-Agar is a natural vegetable gelatin counterpart originally eaten in Japan. White and semi-translucent, it is sold in packages as washed and dried strips or in powdered form. It can be used to make jellies, puddings and custards. For making jelly, it is boiled in water until the solids dissolve. One then adds sweetener, flavouring, colouring, fruit or vegetables, and pours the liquid into molds to be served as desserts and vegetable aspics, or incorporated with other desserts, such as a jelly layer on a cake.; Agar-agar is approximately 80% fiber, so it can serve as a great intestinal regulator. Its bulk quality is behind one of the latest fad diets in Asia, the kanten diet. Once ingested, kanten triples in size and absorbs water. This results in the consumer feeling more full. Recently this diet has received some press coverage in the United States as well. The diet has shown promise in obesity studies.; Chemically, agar is a polymer made up of subunits of the sugar galactose. Agar polysaccharides serve as the primary structural support for the algae's cell walls.; The word "agar" comes from the Malay word agar-agar (meaning jelly). It is also known as kanten, China grass, or Japanese isinglass. The various species of alga or seaweed from which agar is derived are sometimes called Ceylon moss. Gracilaria lichenoides specifically is referred to as agal-agal or Ceylon agar. |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Hexadecylcitric acid | MeSH | | alpha-Cetyl citric acid | MeSH | | Agaricic acid | MeSH |
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| Chemical Formula | C22H40O7 |
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| Average Molecular Mass | 416.555 g/mol |
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| Monoisotopic Mass | 416.277 g/mol |
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| CAS Registry Number | 666-99-9 |
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| IUPAC Name | 1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic acid |
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| Traditional Name | 1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic acid |
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| SMILES | CCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28) |
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| InChI Key | HZLCGUXUOFWCCN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Tricarboxylic acids and derivatives |
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| Direct Parent | Tricarboxylic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tricarboxylic acid or derivatives
- Hydroxy acid
- Alpha-hydroxy acid
- Tertiary alcohol
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0n31-0109100000-fe8517407772c3b853fd | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0hjr-1179000000-a8b8769e5b967be6d36e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03kl-5593000000-7634a46ca26a7a48c881 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0100-1109200000-e3a14480f960e062f2f1 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-05e9-4129000000-32137183e27ad647d0f9 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a70-9055000000-c466a9c0404d91a69428 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | FDB016843 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Agar |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 12629 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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