[3-tetradecanoyloxy-2-[[3-tetradecanoyloxy-2,2-bis(tetradecanoyloxymethyl)propoxy]methyl]-2-(tetradecanoyloxymethyl)propyl] tetradecanoate (CED0314412)

Record Information

Version

1.0

Creation Date

2026-09-01 14:26:54 UTC

Update Date

2026-09-01 14:26:54 UTC

SynCED ID

CED0314412

Secondary Accession Numbers

CHEM360312

Identification

Common Name

[3-tetradecanoyloxy-2-[[3-tetradecanoyloxy-2,2-bis(tetradecanoyloxymethyl)propoxy]methyl]-2-(tetradecanoyloxymethyl)propyl] tetradecanoate

Class

Small Molecule

Description

[3-tetradecanoyloxy-2-[[3-tetradecanoyloxy-2,2-bis(tetradecanoyloxymethyl)propoxy]methyl]-2-(tetradecanoyloxymethyl)propyl] tetradecanoate is a chemical compound with the formula C94H178O13. With an average molecular weight of 1,516 g/mol, [3-tetradecanoyloxy-2-[[3-tetradecanoyloxy-2,2-bis(tetradecanoyloxymethyl)propoxy]methyl]-2-(tetradecanoyloxymethyl)propyl] tetradecanoate is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉₄H₁₇₈O₁₃

Average Molecular Mass

Not Available

Monoisotopic Mass

1515.327 g/mol

CAS Registry Number

75587-84-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC

InChI Identifier

InChI=1S/C94H178O13/c1-7-13-19-25-31-37-43-49-55-61-67-73-87(95)102-81-93(82-103-88(96)74-68-62-56-50-44-38-32-26-20-14-8-2,83-104-89(97)75-69-63-57-51-45-39-33-27-21-15-9-3)79-101-80-94(84-105-90(98)76-70-64-58-52-46-40-34-28-22-16-10-4,85-106-91(99)77-71-65-59-53-47-41-35-29-23-17-11-5)86-107-92(100)78-72-66-60-54-48-42-36-30-24-18-12-6/h7-86H2,1-6H3

InChI Key

AHDLNXGQLLQZTD-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
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
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	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	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.397 Applicability Domain 0.409 Statistical Significance 7.30e-04 Supporting Reference Compounds 40 E-value 5.68299
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.397 Applicability Domain 0.409 Statistical Significance 3.20e-04 Supporting Reference Compounds 21 E-value 2.49118
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.396 Applicability Domain 0.455 Statistical Significance 1.40e-04 Supporting Reference Compounds 40 E-value 1.08989
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.419 Statistical Significance 0.0021 Supporting Reference Compounds 197 E-value 16.1926
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.419 Statistical Significance 0.003 Supporting Reference Compounds 127 E-value 23.4326
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.409 Statistical Significance 3.70e-04 Supporting Reference Compounds 31 E-value 2.88042
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.39 Applicability Domain 0.4 Statistical Significance 3.50e-04 Supporting Reference Compounds 30 E-value 2.72472
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.39 Applicability Domain 0.455 Statistical Significance 7.00e-05 Supporting Reference Compounds 2 E-value 0.544945
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.382 Applicability Domain 0.455 Statistical Significance 0.003 Supporting Reference Compounds 106 E-value 23.1991
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.377 Applicability Domain 0.455 Statistical Significance 8.70e-04 Supporting Reference Compounds 55 E-value 6.77288
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.377 Applicability Domain 0.419 Statistical Significance 0.001 Supporting Reference Compounds 21 E-value 8.09632
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.375 Applicability Domain 0.375 Statistical Significance 3.60e-04 Supporting Reference Compounds 1 E-value 2.80257
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.373 Applicability Domain 0.419 Statistical Significance 0.0028 Supporting Reference Compounds 89 E-value 21.7199
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 0.361 Applicability Domain 0.361 Statistical Significance 2.10e-04 Supporting Reference Compounds 1 E-value 1.63483
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.455 Statistical Significance 8.00e-05 Supporting Reference Compounds 4 E-value 0.622794
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.455 Statistical Significance 1.20e-04 Supporting Reference Compounds 20 E-value 0.934191
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.356 Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.419 Statistical Significance 0.0062 Supporting Reference Compounds 192 E-value 48.2665
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.347 Applicability Domain 0.368 Statistical Significance 5.00e-05 Supporting Reference Compounds 2 E-value 0.389246
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.455 Statistical Significance 0.0034 Supporting Reference Compounds 102 E-value 26.6244
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.4 Statistical Significance 2.40e-04 Supporting Reference Compounds 9 E-value 1.86838
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.419 Statistical Significance 7.00e-04 Supporting Reference Compounds 15 E-value 5.44945
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.4 Statistical Significance 1.90e-04 Supporting Reference Compounds 3 E-value 1.47914
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.332 Applicability Domain 0.36 Statistical Significance 4.70e-04 Supporting Reference Compounds 10 E-value 3.65891
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.419 Statistical Significance 0.009 Supporting Reference Compounds 149 E-value 69.8307