Gellan gum

Relevant Data

Food Additives Approved in the United States

Food Additives Approved by WHO:

  • GELLAN GUM [show]

General Information

Chemical nameGellan gum
E No.E 418
INS.418
CAS number71010-52-1
GroupNo
Component of the group Group I, Additives (Group I)

From webgate.ec.europa.eu

Authorisation of the use of this additive in Food Additives

The additive is authorised to be used in the following category(ies):
category(ies) Individual restriction(s)/exception(s) footnote
  • Jam, jellies and marmalades and sweetened chestnut puree as defined by Directive 2001/113/EC (4.2.5.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 10000 mg/kg
  • 32 Maximum individually or in combination with E 400 - 404, E 406, E 407, E 410, E 412, E 415 and E 418
  • Table-Top Sweeteners in liquid form (11.4.1)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis
  • Other similar fruit or vegetable spreads (4.2.5.3)(legislation:1129/2011, applicable as from 01/06/2013)
  • ML = 10000 ,
  • 32 Maximum individually or in combination with E 400 - 404, E 406, E 407, E 410, E 412, E 415 and E 418
  • Table-Top Sweeteners in powder form (11.4.2)(legislation:1129/2011, applicable as from 01/06/2013)
  • quantum satis ,

From webgate.ec.europa.eu

Computed Descriptors

Download SDF
2D Structure
CID3609400
IUPAC Name2-hydroxypropanoic acid;iron
InChIInChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);
InChI KeyDEQJBORXLQWRGV-UHFFFAOYSA-N
Canonical SMILESCC(C(=O)O)O.CC(C(=O)O)O.[Fe]
Molecular FormulaC6H12FeO6
Wikipediaferrous lactate

From Pubchem

Computed Properties

Property Name Property Value
Molecular Weight236.001
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Complexity141.0
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 Area115.0
Monoisotopic Mass235.998
Exact Mass235.998
Compound Is CanonicalizedTrue
Formal Charge0
Heavy Atom Count13
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count3

From Pubchem

ADMET Predicted Profile --- Classification

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.7673
Human Intestinal AbsorptionHIA+0.6820
Caco-2 PermeabilityCaco2-0.8499
P-glycoprotein SubstrateNon-substrate0.7206
P-glycoprotein InhibitorNon-inhibitor0.9661
Non-inhibitor0.9696
Renal Organic Cation TransporterNon-inhibitor0.9662
Distribution
Subcellular localizationMitochondria0.8238
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8538
CYP450 2D6 SubstrateNon-substrate0.9095
CYP450 3A4 SubstrateNon-substrate0.7095
CYP450 1A2 InhibitorNon-inhibitor0.9631
CYP450 2C9 InhibitorNon-inhibitor0.8568
CYP450 2D6 InhibitorNon-inhibitor0.9457
CYP450 2C19 InhibitorNon-inhibitor0.9605
CYP450 3A4 InhibitorNon-inhibitor0.9513
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9901
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9925
Non-inhibitor0.9649
AMES ToxicityNon AMES toxic0.9214
CarcinogensNon-carcinogens0.5825
Fish ToxicityHigh FHMT0.6021
Tetrahymena Pyriformis ToxicityLow TPT0.9224
Honey Bee ToxicityHigh HBT0.6372
BiodegradationReady biodegradable0.8581
Acute Oral ToxicityIII0.7099
Carcinogenicity (Three-class)Non-required0.8063

From admetSAR

ADMET Predicted Profile --- Regression

Model Value Unit
Absorption
Aqueous solubility0.1467LogS
Caco-2 Permeability-0.2321LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity1.5074LD50, mol/kg
Fish Toxicity2.7399pLC50, mg/L
Tetrahymena Pyriformis Toxicity-1.2107pIGC50, ug/L

From admetSAR

Taxonomic Classification

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassHydroxy acids and derivatives
SubclassAlpha hydroxy acids and derivatives
Intermediate Tree NodesNot available
Direct ParentAlpha hydroxy acids and derivatives
Alternative Parents
Molecular FrameworkNot available
SubstituentsAlpha-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
DescriptionThis 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