GELLAN GUM
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| CAS number: | 71010-52-1 |
| INS: | 418 |
| Functional Class: |
Food Additives STABILIZER THICKENER GELLING_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 2019 |
| ADI: | NOT SPECIFIED |
| Meeting: | 87 |
| Specs Code: | R, T |
| Comments: | The Committee evaluated low-acyl clarified gellan gum for use in formulas for special medical purposes for infants. Available studies confirm the absence of any adverse effects arising from exposure to gellan gum for use in formulas for special medical purposes for infants and the Committee concluded that its proposed uses are not of safety concern. |
From apps.who.int
GSFA Provisions for GELLAN GUM
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
GMP | Note 160 |
| 09.2.4.1 | Cooked fish and fish products |
GMP | Note 241 |
| 06.4.2 | Dried pastas and noodles and like products |
GMP | Note 256 |
| 01.2.1.2 | Fermented milks (plain), heat-treated after fermentation |
GMP | Note 234 |
| 01.2.1.1 | Fermented milks (plain), not heat-treated after fermentation |
GMP | Note 235,Note 234 |
| 08.1.2 | Fresh meat, poultry, and game, comminuted |
GMP | Note 281 |
| 08.1.1 | Fresh meat, poultry, and game, whole pieces or cuts |
GMP | Note 16,Note 326 |
| 06.4.1 | Fresh pastas and noodles and like products |
GMP | Note 211 |
| 09.2.4.3 | Fried fish and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note 41 |
| 09.2.2 | Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note XS166 |
| 09.2.1 | Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms |
GMP | Note XS315,Note XS36,Note XS95,Note XS191,Note XS312,Note XS165,Note XS92,Note XS292,Note XS190 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
GMP | Note 258 |
| 01.4.1 | Pasteurized cream (plain) |
GMP | Note 236 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 3609400 |
| IUPAC Name | 2-hydroxypropanoic acid;iron |
| InChI | InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6); |
| InChI Key | DEQJBORXLQWRGV-UHFFFAOYSA-N |
| Canonical SMILES | CC(C(=O)O)O.CC(C(=O)O)O.[Fe] |
| Molecular Formula | C6H12FeO6 |
| Wikipedia | ferrous lactate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 236.001 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Complexity | 141.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B g O A A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A C B S g g A I C C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B E A A A A A A A Q A A A A A A B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 115.0 |
| Monoisotopic Mass | 235.998 |
| Exact Mass | 235.998 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.7673 |
| Human Intestinal Absorption | HIA+ | 0.6820 |
| Caco-2 Permeability | Caco2- | 0.8499 |
| P-glycoprotein Substrate | Non-substrate | 0.7206 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9661 |
| Non-inhibitor | 0.9696 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9662 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.8238 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8538 |
| CYP450 2D6 Substrate | Non-substrate | 0.9095 |
| CYP450 3A4 Substrate | Non-substrate | 0.7095 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.9631 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8568 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9457 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9605 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9513 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9901 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9925 |
| Non-inhibitor | 0.9649 | |
| AMES Toxicity | Non AMES toxic | 0.9214 |
| Carcinogens | Non-carcinogens | 0.5825 |
| Fish Toxicity | High FHMT | 0.6021 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.9224 |
| Honey Bee Toxicity | High HBT | 0.6372 |
| Biodegradation | Ready biodegradable | 0.8581 |
| Acute Oral Toxicity | III | 0.7099 |
| Carcinogenicity (Three-class) | Non-required | 0.8063 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | 0.1467 | LogS |
| Caco-2 Permeability | -0.2321 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.5074 | LD50, mol/kg |
| Fish Toxicity | 2.7399 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -1.2107 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Hydroxy acids and derivatives |
| Subclass | Alpha hydroxy acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha hydroxy acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Alpha-hydroxy acid - Secondary alcohol - Organic transition metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. |
From ClassyFire