Hexadecyl (2s,4r)-1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylate (CED0304819)

Record Information

Version

1.0

Creation Date

2026-08-31 22:08:49 UTC

Update Date

2026-08-31 22:08:49 UTC

SynCED ID

CED0304819

Secondary Accession Numbers

CHEM350431

Identification

Common Name

Hexadecyl (2s,4r)-1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylate

Class

Small Molecule

Description

Hexadecyl (2s,4r)-1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylate is a chemical compound with the formula C37H71NO4. With an average molecular weight of 594.00 g/mol, Hexadecyl (2s,4r)-1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylate is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₇H₇₁NO₄

Average Molecular Mass

Not Available

Monoisotopic Mass

593.538 g/mol

CAS Registry Number

791838-11-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CC(CN1C(=O)CCCCCCCCCCCCCCC)O

InChI Identifier

InChI=1S/C37H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-42-37(41)35-32-34(39)33-38(35)36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,39H,3-33H2,1-2H3/t34-,35+/m1/s1

InChI Key

GOVINWHEYOSPAK-GPOMZPHUSA-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
8840.0 Log mg/kg [5000:16000]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	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	Not Available
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	Not Available
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	Not Available
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	Not Available
CEDs000610	Aftersun 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 & cosmetics	Not Available
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	Not Available
CEDs000614	Essential 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 & cosmetics	Not Available
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	Not Available
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	Not Available
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	Not Available

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	Guanine nucleotide-binding protein G(i) subunit alpha-1	P63096	Humans	Predicted (SEA)	Prediction Confidence Score 0.34 Applicability Domain 0.346 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.304 Statistical Significance 4.10e-04 Supporting Reference Compounds 21 E-value 3.19182
Click to view 3D structure	Ceramide glucosyltransferase	O88693	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.304 Statistical Significance 2.60e-04 Supporting Reference Compounds 14 E-value 2.02408
Click to view 3D structure	Sucrase-isomaltase	B5THE3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.304 Statistical Significance 2.40e-04 Supporting Reference Compounds 7 E-value 1.86838
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.31 Statistical Significance 0.0128 Supporting Reference Compounds 197 E-value 99.4913
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.31 Statistical Significance 0.0167 Supporting Reference Compounds 127 E-value 129.852
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.31 Statistical Significance 0.0028 Supporting Reference Compounds 21 E-value 22.1092
Click to view 3D structure	Lysosomal alpha-glucosidase	P70699	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.304 Statistical Significance 3.60e-04 Supporting Reference Compounds 7 E-value 2.80257
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.31 Statistical Significance 0.0149 Supporting Reference Compounds 89 E-value 115.84
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.281 Low confidence Statistical Significance 6.80e-04 Supporting Reference Compounds 1 E-value 5.29375
Click to view 3D structure	Platelet glycoprotein 4	P16671	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.277 Low confidence Statistical Significance 8.10e-04 Supporting Reference Compounds 1 E-value 6.30579
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.277 Low confidence Statistical Significance 8.40e-04 Supporting Reference Compounds 1 E-value 6.53933
Click to view 3D structure	Lysosomal acid glucosylceramidase	P04062	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.304 Statistical Significance 7.80e-04 Supporting Reference Compounds 35 E-value 6.07224
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.31 Statistical Significance 0.0437 Supporting Reference Compounds 192 E-value 340.045
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.31 Statistical Significance 0.0425 Supporting Reference Compounds 149 E-value 330.626
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 0.0089 Supporting Reference Compounds 1 E-value 69.1301
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.286 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 40 E-value 18.1389
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.315 Statistical Significance 0.0496 Supporting Reference Compounds 200 E-value 386.132
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.315 Statistical Significance 0.0402 Supporting Reference Compounds 175 E-value 313.187
Click to view 3D structure	Guanine nucleotide-binding protein G(o) subunit alpha	P09471	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.333 Statistical Significance 2.30e-04 Supporting Reference Compounds 2 E-value 1.79053
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.31 Statistical Significance 0.002 Supporting Reference Compounds 15 E-value 15.8034
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.315 Statistical Significance 0.0295 Supporting Reference Compounds 104 E-value 229.577
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.283 Low confidence Statistical Significance 0.0333 Supporting Reference Compounds 102 E-value 259.471
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.283 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 21 E-value 26.0016
Click to view 3D structure	M-phase inducer phosphatase 2	P30306	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.345 Statistical Significance 7.90e-04 Supporting Reference Compounds 4 E-value 6.15009