2-(hydroxymethyl)-2-[[2-hydroxy-3-(16-methylheptadecoxy)propoxy]methyl]propane-1,3-diol (CED0296053)

Record Information

Version

1.0

Creation Date

2026-08-31 08:39:13 UTC

Update Date

2026-08-31 08:39:13 UTC

SynCED ID

CED0296053

Secondary Accession Numbers

CHEM341590

Identification

Common Name

2-(hydroxymethyl)-2-[[2-hydroxy-3-(16-methylheptadecoxy)propoxy]methyl]propane-1,3-diol

Class

Small Molecule

Description

2-(hydroxymethyl)-2-[[2-hydroxy-3-(16-methylheptadecoxy)propoxy]methyl]propane-1,3-diol is a chemical compound with the formula C26H54O6. It has an average molecular weight of 462.70 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₅₄O₆

Average Molecular Mass

Not Available

Monoisotopic Mass

462.392 g/mol

CAS Registry Number

146925-83-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)CCCCCCCCCCCCCCCOCC(COCC(CO)(CO)CO)O

InChI Identifier

InChI=1S/C26H54O6/c1-24(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-31-18-25(30)19-32-23-26(20-27,21-28)22-29/h24-25,27-30H,3-23H2,1-2H3

InChI Key

QWVUXEBWAZOACQ-UHFFFAOYSA-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
5757.0 Log mg/kg [3200:10000]	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
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
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	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
CEDs000616	Face 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 & 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

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	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 9.50e-04 Supporting Reference Compounds 1 E-value 7.39568
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.236 Low confidence Statistical Significance 6.30e-04 Supporting Reference Compounds 1 E-value 4.9045
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.245 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 21 E-value 9.57545
Click to view 3D structure	Ceramide glucosyltransferase	O88693	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.245 Low confidence Statistical Significance 8.20e-04 Supporting Reference Compounds 14 E-value 6.38364
Click to view 3D structure	Sucrase-isomaltase	B5THE3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.245 Low confidence Statistical Significance 9.80e-04 Supporting Reference Compounds 7 E-value 7.62922
Click to view 3D structure	Lysosomal acid glucosylceramidase	P04062	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.245 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 35 E-value 40.793
Click to view 3D structure	Lysosomal alpha-glucosidase	P70699	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.245 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 7 E-value 10.1204
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.271 Low confidence Statistical Significance 0.0367 Supporting Reference Compounds 30 E-value 285.551
Click to view 3D structure	2-dehydro-3-deoxyphosphooctonate aldolase	Q9JZ55	Neisseria meningitidis serogroup B (strain MC58)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.40772
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 1 E-value 36.122
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.271 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 3 E-value 22.0313
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.271 Low confidence Statistical Significance 0.0403 Supporting Reference Compounds 21 E-value 313.577
Click to view 3D structure	Lactase/phlorizin hydrolase	P09848	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.197 Low confidence Statistical Significance 0.0117 Supporting Reference Compounds 1 E-value 90.7722
Click to view 3D structure	Ceramide glucosyltransferase	Q16739	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.2 Low confidence Statistical Significance 0.0369 Supporting Reference Compounds 20 E-value 287.03
Click to view 3D structure	Hydrolase, alpha/beta hydrolase fold family	O69638	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 0.0188 Supporting Reference Compounds 1 E-value 146.746
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.244 Low confidence Statistical Significance 0.0047 Supporting Reference Compounds 2 E-value 36.4334
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.271 Low confidence Statistical Significance 0.1239 Supporting Reference Compounds 31 E-value 964.863
Click to view 3D structure	Sucrase-isomaltase, intestinal	P14410	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.2 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 14 E-value 15.8812
Click to view 3D structure	Beta-1 adrenergic receptor	P18090	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.194 Low confidence Statistical Significance 0.1486 Supporting Reference Compounds 43 E-value 1156.68
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.186 Low confidence Statistical Significance 0.0048 Supporting Reference Compounds 1 E-value 37.7569
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.271 Low confidence Statistical Significance 0.0094 Supporting Reference Compounds 9 E-value 73.0226
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.204 Low confidence Statistical Significance 0.1441 Supporting Reference Compounds 48 E-value 1121.81
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.194 Low confidence Statistical Significance 0.6825 Supporting Reference Compounds 180 E-value 5312.9
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.194 Low confidence Statistical Significance 0.1089 Supporting Reference Compounds 37 E-value 847.778
Click to view 3D structure	Lysosomal alpha-glucosidase	P10253	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.2 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 21 E-value 32.3074