Record Information
Version1.0
Creation date2010-04-08 22:12:41 UTC
Update date2015-07-20 23:33:17 UTC
Primary IDFDB016843
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAgar
DescriptionAn 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.
CAS Number9002-18-0
Structure
Thumb
Synonyms
SynonymSource
Agar-agardb_source
Agaricinumbiospider
Agaricus campestrisbiospider
Agaricus emeticusbiospider
Agaricus muscariusbiospider
Agaricus Muscarius 2ch - 30chbiospider
Agaricus muscarius homaccordbiospider
Agaricus Muscarius Liquid (S#235)biospider
Agaricus phalloidesbiospider
Agaricus-Injeel Forte Liq (D4-D200)biospider
Bengal isinglassdb_source
Ceylon isinglassdb_source
Chinese isinglassdb_source
E406db_source
FEMA 2012db_source
Gelosedb_source
Gum agardb_source
Japan agardb_source
Japan isinglassdb_source
Pekana - agaricus muscariusbiospider
Predicted Properties
PropertyValueSource
Water Solubility0.0026 g/LALOGPS
logP3.91ALOGPS
logP5.89ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)3.56ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.13 ŲChemAxon
Rotatable Bond Count20ChemAxon
Refractivity109.21 m³·mol⁻¹ChemAxon
Polarizability48.84 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC22H40O7
IUPAC name1-hexadecyl-2-hydroxypropane-1,2,3-tricarboxylic acid
InChI IdentifierInChI=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)
InChI KeyHZLCGUXUOFWCCN-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCCCCCCCCC(C(O)=O)C(O)(CC(O)=O)C(O)=O
Average Molecular Weight417
Monoisotopic Molecular Weight416
Classification
DescriptionThis compound belongs to the class of chemical entities known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassCarboxylic acids and derivatives
Direct ParentTricarboxylic acids and derivatives
Alternative Parents
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
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0n31-0109100000-fe8517407772c3b853fdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0hjr-1179000000-a8b8769e5b967be6d36eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03kl-5593000000-7634a46ca26a7a48c881View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0100-1109200000-e3a14480f960e062f2f1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-05e9-4129000000-32137183e27ad647d0f9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a70-9055000000-c466a9c0404d91a69428View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC08815
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKTM20-U:KTM20-U
EAFUS ID66
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDAgar
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference