4-[[3-carboxypropyl(oxo)germyl]oxy-oxogermyl]butanoic acid (CED0211733)

Record Information

Version

1.0

Creation Date

2026-08-24 14:52:54 UTC

Update Date

2026-08-24 14:52:54 UTC

SynCED ID

CED0211733

Secondary Accession Numbers

CHEM250916

Identification

Common Name

4-[[3-carboxypropyl(oxo)germyl]oxy-oxogermyl]butanoic acid

Class

Small Molecule

Description

4-[[3-carboxypropyl(oxo)germyl]oxy-oxogermyl]butanoic acid is an organic compound with the formula C8H14Ge2O7 and an average molecular weight of 367.50 g/mol. 4-[[3-carboxypropyl(oxo)germyl]oxy-oxogermyl]butanoic acid belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified as being found in or released from household cleaning and consumer products, specifically non electric simulated smoking devices.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₄Ge₂O₇

Average Molecular Mass

367.500 g/mol

Monoisotopic Mass

369.916 g/mol

CAS Registry Number

76833-36-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H14Ge2O7/c11-7(12)3-1-5-9(15)17-10(16)6-2-4-8(13)14/h1-6H2,(H,11,12)(H,13,14)

InChI Key

PKCYYRXPGMHIPO-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
6852.0 Log mg/kg [3900:12000]	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
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	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
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	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
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
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	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	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.4 Applicability Domain 0.4 Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.37 Statistical Significance 0.0039 Supporting Reference Compounds 197 E-value 30.2833
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.37 Statistical Significance 0.0056 Supporting Reference Compounds 127 E-value 43.907
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.37 Statistical Significance 0.0053 Supporting Reference Compounds 89 E-value 41.2601
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.37 Statistical Significance 0.0137 Supporting Reference Compounds 192 E-value 106.42
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.37 Statistical Significance 0.0024 Supporting Reference Compounds 21 E-value 18.3724
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.37 Statistical Significance 0.023 Supporting Reference Compounds 149 E-value 179.287
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.37 Statistical Significance 0.0118 Supporting Reference Compounds 56 E-value 92.1735
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.3 Statistical Significance 0.0021 Supporting Reference Compounds 35 E-value 16.1148
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.3 Statistical Significance 2.70e-04 Supporting Reference Compounds 14 E-value 2.10193
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.37 Statistical Significance 0.0014 Supporting Reference Compounds 15 E-value 11.2103
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.37 Statistical Significance 0.0121 Supporting Reference Compounds 63 E-value 94.5868
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.37 Statistical Significance 0.0021 Supporting Reference Compounds 19 E-value 16.0369
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.27 Low confidence Statistical Significance 2.40e-04 Supporting Reference Compounds 1 E-value 1.86838
Click to view 3D structure	Betaine--homocysteine S-methyltransferase 1	Q93088	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.27 Low confidence Statistical Significance 5.40e-04 Supporting Reference Compounds 1 E-value 4.20386
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.381 Statistical Significance 0.0049 Supporting Reference Compounds 41 E-value 38.1461
Click to view 3D structure	Succinate receptor 1	Q99MT6	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.381 Statistical Significance 1.20e-04 Supporting Reference Compounds 2 E-value 0.934191
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.37 Statistical Significance 1.70e-04 Supporting Reference Compounds 9 E-value 1.32344
Click to view 3D structure	Fatty acid-binding protein, heart	P05413	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.37 Statistical Significance 0.0036 Supporting Reference Compounds 13 E-value 27.7922
Click to view 3D structure	N-acetylaspartylglutamate synthase A	Q8IXN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.242 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 1 E-value 16.0369
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.3 Statistical Significance 0.0195 Supporting Reference Compounds 45 E-value 152.195
Click to view 3D structure	Oxoeicosanoid receptor 1	Q8TDS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.294 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 4 E-value 11.5995
Click to view 3D structure	Snake venom metalloproteinase neuwiedase	Q9I9R4	Bothrops pauloensis	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.486
Click to view 3D structure	Toll-like receptor 2	O60603	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.37 Statistical Significance 0.002 Supporting Reference Compounds 9 E-value 15.4141
Click to view 3D structure	Putative inactive group IIC secretory phospholipase A2	Q5R387	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 1 E-value 31.7625