GELATIN (CED0000648)

Record Information
Version1.0
Creation Date2016-05-19 02:06:47 UTC
Update Date2026-04-17 19:34:39 UTC
Accession NumberCHEM005810
Identification
Common NameGELATIN
ClassSmall Molecule
Description
GELATIN belongs to the benzenediols, a subclass of phenols within the organic compounds. This compound has the formula C9H14ClNO3 and an average molecular weight of 219.66 g/mol. In industrial applications, GELATIN serves a wide variety of roles and uses. It is utilized as a binder, thickening agent, solvent, and viscosity modifier. It functions as a film former, surface modifier, and adhesion/cohesion promoter. Additionally, it is used as a humectant, drier, anti-caking agent, fragrance, and flavouring and nutrient, as well as for processing aids not otherwise specified. GELATIN is found in or released from 12 recorded sources. Within the category of electrical and electronic equipment, it is associated with coils, antennas, television systems, and electric hearing aids and video games. In food, food processing and cookware, it is linked to the processing of meats and the preparation of vinegar, wine, or sparkling wine. It is also found in household cleaning and consumer products, specifically tobacco product cases and non-electric simulated smoking devices. Furthermore, it is identified in blood and related products within healthcare, pharmaceuticals and veterinary products, and in tents or canopies within building and construction. The recorded exposure route for this compound is intravenous.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Epinephrine hydrochlorideChEBI
L-Adrenaline hydrochlorideChEBI
L-Epinephrine hydrochlorideChEBI
Adrenalin chlorideKegg
AdrenalineHMDB
Adrenaline bitartrateHMDB
Adrenaline hydrochlorideHMDB
EpifrinHMDB
Epinephrine bitartrateHMDB
LyophrinHMDB
4-(1-Hydroxy-2-(methylamino)ethyl)-1,2-benzenediolHMDB
EpinephrineHMDB
Epinephrine acetateHMDB
Acetate, epinephrineHMDB
Adrenaline acid tartrateHMDB
Epinephrine hydrogen tartrateHMDB
EpitrateHMDB
Medihaler-epiHMDB
Allergan brand OF adrenaline hydrochlorideHMDB
Chemical FormulaC9H14ClNO3
Average Molecular Mass219.665 g/mol
Monoisotopic Mass219.066 g/mol
CAS Registry Number9000-70-8
IUPAC Name4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol hydrochloride
Traditional Nameepinephrine hydrochloride
SMILESCl.CNC[C@H](O)C1=CC(O)=C(O)C=C1
InChI IdentifierInChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m0./s1
InChI KeyATADHKWKHYVBTJ-FVGYRXGTSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub ClassBenzenediols
Direct ParentCatechols
Alternative Parents
Substituents
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Aralkylamine
  • Monocyclic benzene moiety
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Secondary aliphatic amine
  • Secondary amine
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic alcohol
  • Hydrochloride
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.43ChemAxon
pKa (Strongest Acidic)9.69ChemAxon
pKa (Strongest Basic)8.91ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area72.72 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity49.23 m³·mol⁻¹ChemAxon
Polarizability18.83 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2901000023-e1b4c2a4d54a44d851b1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2901000023-e1b4c2a4d54a44d851b1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a7i-0900070700-45f1a3bf3aac26069507Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900020000-c282d6a703a3a812c91aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-b11e26802dca28ea88f0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-5ea1e94063a49c0d6ddbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0000090000-f0fcdc5ed4d00170f2a3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0200000900-439b7d31b57ea93dff40Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-4900000000-1cb488a53f50cba638cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9700000000-239fd7095409362c75bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9000000000-37757a9a6c61ec2bac1bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9000000000-2d04ae69b21d82ee0763Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9000000000-2d04ae69b21d82ee0763Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-0500000900-20a1c46dfdef404c9d3eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a59-5900000000-c7e9166d7e79e23023a5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-053r-9800000000-07e4c66bcd0be93f7c09Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9200000000-553fb27002eceacb9270Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9000000000-9725c29b26f7cbbef576Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-9000000000-2d04ae69b21d82ee0763Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0000090100-c815622b0bac716ba224Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-0000020900-78ac24c4a3447cf2cb78Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0000090400-0c8362975e5b8d5441bbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0200090000-b4daabb8616be713f34cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900020000-595b522fe60bb668626aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0041090000-e9aadb2dff7c545dfce4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0020092000-6a2a3f6a74deed47dd72Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-056r-0070390000-4f9cd4f2a3b1e945ccfaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fw9-0004960000-669f9bf82a144b4b5cdbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-4c8f943d869f13c9bb1cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-4c8f943d869f13c9bb1cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0090000000-4c8f943d869f13c9bb1cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-1a30917d4f392e75cfd3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-1a30917d4f392e75cfd3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0090000000-1a30917d4f392e75cfd3Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
216.0Log mg/kg[120:380]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
277Blood and related productsHealthcare, pharmaceuticals & veterinary productsNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
621Chutes And SlidesRecreation & sports surfacesNot Available
624Merry Go RoundsRecreation & sports surfacesNot Available
663Sanitary EquipmentWastewater, sanitation & biosolidsNot Available
Pathways
1 pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)0.155698
Click to view 3D structureBeta-1 adrenergic receptorB0FL73Cavia porcellusPredicted (SEA)0.389246
Click to view 3D structureTaste receptor type 2 member 50P59544HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 45P59539HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 42Q7RTR8HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 41P59536HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 7Q9NYW3HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 30P59541HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 60P59551HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 19P59542HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 20P59543HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 1Q9NYW7HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 40P59535HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 3Q9NYW6HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 13Q9NYV9HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 39P59534HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 5Q9NYW4HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 9Q9NYW1HumansPredicted (SEA)0.0778492
Click to view 3D structureTaste receptor type 2 member 43P59537HumansPredicted (SEA)0.0778492
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)0.155698
Beta-3 adrenergic receptor structureClick to view 3D structureBeta-3 adrenergic receptorP13945HumansPredicted (SEA)0.622794
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)0.856341
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)3.89246
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)0.544945
Click to view 3D structureBeta-2 adrenergic receptorP54833Canis lupus familiarisPredicted (SEA)0.0778492
Concentrations
Not Available
External Links
DrugBank IDDBSALT001484
HMDB IDHMDB0014344
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkErythromycin
Chemspider IDNot Available
ChEBI ID6213
PubChem Compound ID441411
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDM2MDB005668
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Kanazawa S, Ohkubo T, Sugawara K: The effects of grapefruit juice on the pharmacokinetics of erythromycin. Eur J Clin Pharmacol. 2001 Jan-Feb;56(11):799-803.
2. Ogwal S, Xide TU: Bioavailability and stability of erythromycin delayed release tablets. Afr Health Sci. 2001 Dec;1(2):90-6.
3. Okudaira T, Kotegawa T, Imai H, Tsutsumi K, Nakano S, Ohashi K: Effect of the treatment period with erythromycin on cytochrome P450 3A activity in humans. J Clin Pharmacol. 2007 Jul;47(7):871-6.