2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)-16-methylheptadecanoate (CED0128148)

Record Information

Version

1.0

Creation Date

2026-08-22 15:07:52 UTC

Update Date

2026-08-22 15:07:52 UTC

SynCED ID

CED0128148

Secondary Accession Numbers

CHEM216941

Identification

Common Name

2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)-16-methylheptadecanoate

Class

Small Molecule

Description

2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)-16-methylheptadecanoate belongs to the fatty alcohols, a subclass of fatty acyls within the organic compounds. It has the chemical formula C48H96O22. With an average molecular weight of 1,025 g/mol, 2,3-dihydroxypropyl 2,2,3,3,4,4,5,5,6-nonakis(2,3-dihydroxypropyl)-16-methylheptadecanoate is a heavy molecule. It is classified under the superclass of lipids and lipid-like molecules.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₈H₉₆O₂₂

Average Molecular Mass

1025.300 g/mol

Monoisotopic Mass

1024.639 g/mol

CAS Registry Number

133738-23-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C48H96O22/c1-32(2)10-8-6-4-3-5-7-9-11-33(12-34(59)21-49)45(13-35(60)22-50,14-36(61)23-51)47(17-39(64)26-54,18-40(65)27-55)48(19-41(66)28-56,20-42(67)29-57)46(15-37(62)24-52,16-38(63)25-53)44(69)70-31-43(68)30-58/h32-43,49-68H,3-31H2,1-2H3

InChI Key

OPKQRMPUGFJLOM-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

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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	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
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	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
CEDs000612	Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.	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
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	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	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.217 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.4623
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.233 Low confidence Statistical Significance 0.0286 Supporting Reference Compounds 21 E-value 222.493
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.233 Low confidence Statistical Significance 0.0572 Supporting Reference Compounds 31 E-value 445.531
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.233 Low confidence Statistical Significance 0.0302 Supporting Reference Compounds 30 E-value 235.494
Click to view 3D structure	Thrombospondin-1	P07996	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.018 Supporting Reference Compounds 1 E-value 139.895
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.233 Low confidence Statistical Significance 0.0053 Supporting Reference Compounds 9 E-value 41.3379
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.216 Low confidence Statistical Significance 0.0102 Supporting Reference Compounds 10 E-value 79.0948
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.217 Low confidence Statistical Significance 0.1077 Supporting Reference Compounds 40 E-value 838.67
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.192 Low confidence Statistical Significance 0.0462 Supporting Reference Compounds 1 E-value 359.897
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 21.0193
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.21 Low confidence Statistical Significance 0.7085 Supporting Reference Compounds 258 E-value 5515.54
Click to view 3D structure	Chromobox protein homolog 5	P45973	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.187 Low confidence Statistical Significance 0.0581 Supporting Reference Compounds 1 E-value 452.382
Click to view 3D structure	Calpain-1 catalytic subunit	P07384	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.192 Low confidence Statistical Significance 0.2063 Supporting Reference Compounds 47 E-value 1605.95
Click to view 3D structure	Glutamyl endopeptidase	P0C1U8	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.185 Low confidence Statistical Significance 0.0599 Supporting Reference Compounds 1 E-value 466.239
Click to view 3D structure	UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase	Q5HMD9	Staphylococcus epidermidis (strain ATCC 35984 / RP62A)	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.185 Low confidence Statistical Significance 0.0074 Supporting Reference Compounds 1 E-value 57.7641
Click to view 3D structure	Probable G-protein coupled receptor 174	Q9BXC1	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.216 Low confidence Statistical Significance 0.0104 Supporting Reference Compounds 8 E-value 80.6518
Click to view 3D structure	Diacylglycerol lipase-alpha	Q9Y4D2	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.195 Low confidence Statistical Significance 0.2454 Supporting Reference Compounds 35 E-value 1910.73
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.183 Low confidence Statistical Significance 0.0559 Supporting Reference Compounds 1 E-value 435.255
Click to view 3D structure	Chromodomain Y-like protein 2	Q8N8U2	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.188 Low confidence Statistical Significance 0.1223 Supporting Reference Compounds 13 E-value 951.862
Click to view 3D structure	Chromobox protein homolog 7	O95931	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.188 Low confidence Statistical Significance 0.1705 Supporting Reference Compounds 25 E-value 1327.41
Click to view 3D structure	E3 SUMO-protein ligase CBX4	O00257	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.188 Low confidence Statistical Significance 0.0683 Supporting Reference Compounds 9 E-value 531.477
Click to view 3D structure	Calpain-2 catalytic subunit	P17655	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.188 Low confidence Statistical Significance 0.1185 Supporting Reference Compounds 17 E-value 922.202
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.18 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 18.2167
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.189 Low confidence Statistical Significance 0.6681 Supporting Reference Compounds 173 E-value 5200.95
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.192 Low confidence Statistical Significance 0.6733 Supporting Reference Compounds 167 E-value 5241.35