2-[methyl-[(z)-octadec-9-enyl]amino]acetic acid (CED0280041)

Record Information
Version1.0
Creation Date2026-08-30 09:45:11 UTC
Update Date2026-08-30 09:45:11 UTC
Accession NumberCHEM325368
Identification
Common Name2-[methyl-[(z)-octadec-9-enyl]amino]acetic acid
ClassSmall Molecule
Description
2-[methyl-[(z)-octadec-9-enyl]amino]acetic acid is a chemical compound with the formula C21H41NO2 and an average molecular weight of 339.60 g/mol. It has been identified in or released from one recorded source: Electrical & Electronic Equipment (Cores Yokes Or Armatures).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H41NO2
Average Molecular MassNot Available
Monoisotopic Mass339.314 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCC=CCCCCCCCCN(C)CC(=O)O
InChI IdentifierInChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24/h10-11H,3-9,12-20H2,1-2H3,(H,23,24)/b11-10-
InChI KeyBMGPYWJNOIMZNC-KHPPLWFESA-N
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
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
6666.0Log mg/kg[3700:12000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)2.95827
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)4.43741
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)3.65891
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)3.26967
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)7.55137
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)12.7673
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)1.24559
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)15.6477
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)25.7681
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)24.2111
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)17.9053
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)9.73115
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)0.856341
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)19.1509
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)21.7199
Click to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1P08487Bos taurusPredicted (SEA)1.86838
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)14.6357
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)11.5217
Click to view 3D structureOxoeicosanoid receptor 1Q8TDS5HumansPredicted (SEA)1.94623
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)4.9045
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)5.60514
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)4.04816
Palmitoyltransferase ZDHHC20 structureClick to view 3D structurePalmitoyltransferase ZDHHC20Q5W0Z9HumansPredicted (SEA)0.233548
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)6.15009
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)83.143
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available