Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, sodium salt (CED0101633)

Record Information
Version1.0
Creation Date2016-05-19 03:48:27 UTC
Update Date2026-04-17 16:56:11 UTC
SynCED IDCED0101633
Secondary Accession Numbers
  • CHEM012015
Identification
Common NameGlycine, N-methyl-N-(1-oxo-9-octadecenyl)-, sodium salt
ClassSmall Molecule
Description
Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, sodium salt is an organic compound with the formula C21H38NNaO3 and an average molecular weight of 375.50 g/mol. Glycine, N-methyl-N-(1-oxo-9-octadecenyl)-, sodium salt belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been found in or released from drinking water and water supply. The recorded exposure route for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H38NNaO3
Average Molecular MassNot Available
Monoisotopic Mass375.275 g/mol
CAS Registry Number3624-77-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChI IdentifierNot Available
InChI KeyVLKIFCBXANYYCK-ASTDGNLGSA-M
Chemical Taxonomy
ClassificationNot classified
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
2511.0 Log mg/kg [1400:4500]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
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.482
Applicability Domain
0.514
Statistical Significance
0.0011
Supporting Reference Compounds
127
E-value
8.79696
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.482
Applicability Domain
0.514
Statistical Significance
8.80e-04
Supporting Reference Compounds
89
E-value
6.85073
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.478
Applicability Domain
0.514
Statistical Significance
0.0011
Supporting Reference Compounds
192
E-value
8.56341
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
0.456
Applicability Domain
0.514
Statistical Significance
5.10e-04
Supporting Reference Compounds
21
E-value
3.97031
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.428
Applicability Domain
0.514
Statistical Significance
0.0018
Supporting Reference Compounds
83
E-value
14.0129
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.416
Applicability Domain
0.514
Statistical Significance
0.0016
Supporting Reference Compounds
197
E-value
12.7673
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.401
Applicability Domain
0.514
Statistical Significance
0.0023
Supporting Reference Compounds
106
E-value
17.9053
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.395
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
0.432
Statistical Significance
0.0033
Supporting Reference Compounds
200
E-value
25.3788
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
0.432
Statistical Significance
0.0017
Supporting Reference Compounds
104
E-value
13.4679
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.383
Applicability Domain
0.432
Statistical Significance
0.0033
Supporting Reference Compounds
175
E-value
25.8459
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.514
Statistical Significance
4.00e-04
Supporting Reference Compounds
19
E-value
3.11397
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.369
Applicability Domain
0.409
Statistical Significance
0.0024
Supporting Reference Compounds
102
E-value
19.0731
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.358
Statistical Significance
3.90e-04
Supporting Reference Compounds
1
E-value
3.03612
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.368
Statistical Significance
5.20e-04
Supporting Reference Compounds
21
E-value
4.04816
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.354
Statistical Significance
0.0019
Supporting Reference Compounds
39
E-value
14.8692
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.368
Statistical Significance
5.70e-04
Supporting Reference Compounds
30
E-value
4.43741
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.354
Statistical Significance
6.30e-04
Supporting Reference Compounds
20
E-value
4.9045
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.368
Statistical Significance
7.80e-04
Supporting Reference Compounds
31
E-value
6.07224
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.475
Statistical Significance
0.0021
Supporting Reference Compounds
63
E-value
16.4262
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.354
Statistical Significance
0.0018
Supporting Reference Compounds
42
E-value
14.1686
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.475
Statistical Significance
0.0044
Supporting Reference Compounds
56
E-value
34.2537
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.358
Statistical Significance
0.0012
Supporting Reference Compounds
40
E-value
9.26406
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.322
Statistical Significance
2.40e-04
Supporting Reference Compounds
1
E-value
1.86838
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1O35433Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.354
Statistical Significance
0.0013
Supporting Reference Compounds
21
E-value
9.88685
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available