(2s)-3-phenyl-2-(undec-10-enoylamino)propanoic acid (CED0191482)

Record Information
Version1.0
Creation Date2026-08-20 06:34:45 UTC
Update Date2026-08-20 06:34:45 UTC
SynCED IDCED0191482
Secondary Accession Numbers
  • CHEM202227
Identification
Common Name(2s)-3-phenyl-2-(undec-10-enoylamino)propanoic acid
ClassSmall Molecule
Description
(2s)-3-phenyl-2-(undec-10-enoylamino)propanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic acid and derivative has the formula C20H29NO3 and an average molecular weight of 331.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H29NO3
Average Molecular Mass331.400 g/mol
Monoisotopic Mass331.215 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C20H29NO3/c1-2-3-4-5-6-7-8-12-15-19(22)21-18(20(23)24)16-17-13-10-9-11-14-17/h2,9-11,13-14,18H,1,3-8,12,15-16H2,(H,21,22)(H,23,24)/t18-/m0/s1
InChI KeyRTBWWWVNZWFNBV-SFHVURJKSA-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2320.0 Log mg/kg [1300:4100]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
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 & cookwareNot Available
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
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 & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsNot Available
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsNot Available
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsNot Available
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.Personal care & cosmeticsNot Available
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsNot Available
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 processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.362
Statistical Significance
5.30e-04
Supporting Reference Compounds
2
E-value
4.12601
Click to view 3D structureHistone deacetylase 6Q99P97Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
0.0033
Supporting Reference Compounds
1
E-value
25.6124
Carboxypeptidase A1 structureClick to view 3D structureCarboxypeptidase A1P15085HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.36
Statistical Significance
0.0025
Supporting Reference Compounds
13
E-value
19.5402
Neprilysin structureClick to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.333
Statistical Significance
0.0104
Supporting Reference Compounds
34
E-value
81.1967
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.333
Statistical Significance
0.0088
Supporting Reference Compounds
51
E-value
68.5852
Carboxypeptidase A1 structureClick to view 3D structureCarboxypeptidase A1P00730Bos taurusPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.348
Statistical Significance
8.20e-04
Supporting Reference Compounds
9
E-value
6.38364
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.315
Statistical Significance
0.0092
Supporting Reference Compounds
38
E-value
71.777
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.327
Statistical Significance
0.0042
Supporting Reference Compounds
3
E-value
32.6188
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.315
Statistical Significance
0.0097
Supporting Reference Compounds
26
E-value
75.4359
Neprilysin structureClick to view 3D structureNeprilysinQ61391Mus musculusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.327
Statistical Significance
0.0076
Supporting Reference Compounds
3
E-value
58.9319
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.309
Statistical Significance
0.0209
Supporting Reference Compounds
46
E-value
162.705
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.302
Statistical Significance
0.0906
Supporting Reference Compounds
497
E-value
705.625
Click to view 3D structureAminopeptidase BO09175Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.323
Statistical Significance
0.0034
Supporting Reference Compounds
8
E-value
26.3909
Click to view 3D structureCytosol aminopeptidaseP28838HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.323
Statistical Significance
0.0105
Supporting Reference Compounds
18
E-value
81.8195
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.298 Low confidence
Statistical Significance
0.013
Supporting Reference Compounds
40
E-value
101.593
Leukotriene A-4 hydrolase structureClick to view 3D structureLeukotriene A-4 hydrolaseP09960HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.315
Statistical Significance
0.0153
Supporting Reference Compounds
51
E-value
119.265
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.295 Low confidence
Statistical Significance
0.1092
Supporting Reference Compounds
553
E-value
850.269
Serine racemase structureClick to view 3D structureSerine racemaseQ9GZT4HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0034
Supporting Reference Compounds
1
E-value
26.5466
Thermolysin structureClick to view 3D structureThermolysinP00800Bacillus thermoproteolyticusPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.302
Statistical Significance
0.0072
Supporting Reference Compounds
11
E-value
56.0514
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.302
Statistical Significance
0.0222
Supporting Reference Compounds
42
E-value
172.747
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.308
Statistical Significance
0.0686
Supporting Reference Compounds
400
E-value
534.201
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.333
Statistical Significance
0.0274
Supporting Reference Compounds
106
E-value
213.073
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.302
Statistical Significance
0.0701
Supporting Reference Compounds
307
E-value
545.645
Peptidylglycine alpha-amidating monooxygenase structureClick to view 3D structurePeptidylglycine alpha-amidating monooxygenaseP14925Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0094
Supporting Reference Compounds
1
E-value
73.5675
Click to view 3D structureAngiotensin-converting enzymeP47820Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.333
Statistical Significance
0.0142
Supporting Reference Compounds
24
E-value
110.857
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available