Dodecyl 5-oxo-L-prolinate (CED0189526)

Record Information

Version

1.0

Creation Date

2026-04-02 22:51:59 UTC

Update Date

2026-08-19 22:17:16 UTC

SynCED ID

CED0189526

Secondary Accession Numbers

CHEM058862

Identification

Common Name

Dodecyl 5-oxo-L-prolinate

Class

Small Molecule

Description

Dodecyl 5-oxo-L-prolinate is an organic compound with the formula C17H31N1O3 and an average molecular weight of 297.44 g/mol. Dodecyl 5-oxo-L-prolinate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, this compound is used as a humectant as well as a softener and conditioner.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₃₁N₁O₃

Average Molecular Mass

297.439 g/mol

Monoisotopic Mass

297.230 g/mol

CAS Registry Number

22794-26-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1

InChI Identifier

InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(20)15-12-13-16(19)18-15/h15H,2-14H2,1H3,(H,18,19)/t15-/m0/s1

InChI Key

HJXPPCPJEYUQFQ-HNNXBMFYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3208.0 Log mg/kg [1800:5700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000490		Personal care & cosmetics	Not Available
CEDs000545	Food 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 & cookware	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000615	Eye 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 & cosmetics	PubChem
CEDs000617	Lip 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 & cosmetics	PubChem
CEDs000618	Lip 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 & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.319 Statistical Significance 0.0031 Supporting Reference Compounds 1 E-value 23.8997
Click to view 3D structure	Transcriptional activator protein LasR	P25084	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.308 Statistical Significance 3.50e-04 Supporting Reference Compounds 12 E-value 2.72472
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.317 Statistical Significance 0.0243 Supporting Reference Compounds 149 E-value 189.174
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.341 Statistical Significance 3.10e-04 Supporting Reference Compounds 2 E-value 2.41333
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.278 Low confidence Statistical Significance 7.50e-04 Supporting Reference Compounds 1 E-value 5.83869
Click to view 3D structure	Guanine nucleotide-binding protein G(i) subunit alpha-1	P63096	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.283 Low confidence Statistical Significance 5.20e-04 Supporting Reference Compounds 2 E-value 4.04816
Click to view 3D structure	Carnitine palmitoyltransferase 1A	Q9MYX2	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.283 Low confidence Statistical Significance 3.80e-04 Supporting Reference Compounds 2 E-value 2.95827
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.341 Statistical Significance 0.0022 Supporting Reference Compounds 40 E-value 17.2047
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.275 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 15 E-value 14.0129
Click to view 3D structure	Histamine H3 receptor	Q9JI35	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.298 Low confidence Statistical Significance 0.0144 Supporting Reference Compounds 56 E-value 111.791
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.278 Low confidence Statistical Significance 6.00e-04 Supporting Reference Compounds 21 E-value 4.67095
Click to view 3D structure	Ceramide glucosyltransferase	O88693	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.278 Low confidence Statistical Significance 4.30e-04 Supporting Reference Compounds 14 E-value 3.34752
Click to view 3D structure	Thyrotropin releasing hormone degrading enzyme	A0A287AP33	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.267 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 1 E-value 41.1822
Click to view 3D structure	M-phase inducer phosphatase 2	P30306	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.345 Statistical Significance 6.20e-04 Supporting Reference Compounds 4 E-value 4.82665
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.275 Low confidence Statistical Significance 0.032 Supporting Reference Compounds 197 E-value 248.962
Click to view 3D structure	Histamine H3 receptor	Q9QYN8	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.298 Low confidence Statistical Significance 0.0212 Supporting Reference Compounds 80 E-value 165.196
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.341 Statistical Significance 0.0011 Supporting Reference Compounds 20 E-value 8.56341
Click to view 3D structure	Squalene monooxygenase	P52020	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.362 Statistical Significance 3.80e-04 Supporting Reference Compounds 12 E-value 2.95827
Click to view 3D structure	Long-chain fatty acid transport protein 4	Q6P1M0	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.344 Statistical Significance 9.10e-04 Supporting Reference Compounds 2 E-value 7.08428
Click to view 3D structure	PhzR	Q9RMS5	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.291 Low confidence Statistical Significance 3.30e-04 Supporting Reference Compounds 5 E-value 2.56902
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.275 Low confidence Statistical Significance 0.051 Supporting Reference Compounds 127 E-value 396.797
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.341 Statistical Significance 5.80e-04 Supporting Reference Compounds 4 E-value 4.51525
Click to view 3D structure	Guanine nucleotide-binding protein G(o) subunit alpha	P09471	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.283 Low confidence Statistical Significance 2.60e-04 Supporting Reference Compounds 2 E-value 2.02408
Click to view 3D structure	Sucrase-isomaltase	B5THE3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.278 Low confidence Statistical Significance 4.60e-04 Supporting Reference Compounds 7 E-value 3.58106
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.288 Low confidence Statistical Significance 0.0368 Supporting Reference Compounds 102 E-value 286.485