Diethanolamine distearate stearamide (CED0114247)

Record Information
Version1.0
Creation Date2026-04-02 23:04:29 UTC
Update Date2026-09-01 07:34:25 UTC
SynCED IDCED0114247
Secondary Accession Numbers
  • CHEM058959
Identification
Common NameDiethanolamine distearate stearamide
ClassSmall Molecule
Description
Diethanolamine distearate stearamide belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 904.54 g/mol, Diethanolamine distearate stearamide is a heavy molecule. It is characterized by the chemical formula C58H113N1O5. In industrial applications, this compound serves several functions. It is utilized as a viscosity modifier, an opacifer, and a foamant.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Diethanolamine distearic acid stearamideGenerator
Chemical FormulaC58H113N1O5
Average Molecular Mass904.544 g/mol
Monoisotopic Mass903.862 g/mol
CAS Registry Number51325-39-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
InChI IdentifierInChI=1S/C58H113NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(60)59(52-54-63-57(61)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)53-55-64-58(62)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-55H2,1-3H3
InChI KeyPWKCDSIZVIREPL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentFatty acid esters
Alternative Parents
Substituents
  • Fatty acid ester
  • N-acyl-amine
  • Dicarboxylic acid or derivatives
  • Tertiary carboxylic acid amide
  • Carboxylic acid ester
  • Carboxamide group
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
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 PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
8496.0 Log mg/kg [4800:15000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000490Personal care & cosmeticsNot Available
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.422
Statistical Significance
3.50e-04
Supporting Reference Compounds
31
E-value
2.72472
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.422
Statistical Significance
7.20e-04
Supporting Reference Compounds
40
E-value
5.60514
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.422
Statistical Significance
3.20e-04
Supporting Reference Compounds
21
E-value
2.49118
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
0.413
Statistical Significance
3.50e-04
Supporting Reference Compounds
30
E-value
2.72472
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.388
Statistical Significance
3.20e-04
Supporting Reference Compounds
1
E-value
2.49118
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.394
Statistical Significance
0.0026
Supporting Reference Compounds
197
E-value
20.4743
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.394
Statistical Significance
0.0038
Supporting Reference Compounds
127
E-value
29.7384
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.382
Statistical Significance
3.30e-04
Supporting Reference Compounds
10
E-value
2.56902
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.394
Statistical Significance
0.0013
Supporting Reference Compounds
21
E-value
9.88685
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.394
Statistical Significance
0.0036
Supporting Reference Compounds
89
E-value
27.87
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.413
Statistical Significance
1.80e-04
Supporting Reference Compounds
9
E-value
1.40129
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.382
Statistical Significance
2.90e-04
Supporting Reference Compounds
11
E-value
2.25763
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.413
Statistical Significance
1.80e-04
Supporting Reference Compounds
3
E-value
1.40129
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.342
Statistical Significance
2.50e-04
Supporting Reference Compounds
1
E-value
1.94623
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.34
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.394
Statistical Significance
0.0084
Supporting Reference Compounds
192
E-value
65.4712
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.388
Statistical Significance
4.30e-04
Supporting Reference Compounds
40
E-value
3.34752
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.351
Statistical Significance
0.0044
Supporting Reference Compounds
102
E-value
34.5651
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
0.0027
Supporting Reference Compounds
1
E-value
21.175
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseQ9URB4Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.511
Statistical Significance
3.00e-05
Supporting Reference Compounds
3
E-value
0.233548
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.394
Statistical Significance
0.011
Supporting Reference Compounds
149
E-value
85.8677
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.394
Statistical Significance
8.10e-04
Supporting Reference Compounds
15
E-value
6.30579
Probable G-protein coupled receptor 174 structureClick to view 3D structureProbable G-protein coupled receptor 174Q9BXC1HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.373
Statistical Significance
3.10e-04
Supporting Reference Compounds
8
E-value
2.41333
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.351
Statistical Significance
0.01
Supporting Reference Compounds
106
E-value
77.9271
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.439
Statistical Significance
0.0132
Supporting Reference Compounds
258
E-value
102.995
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID6452413
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available