(2s)-2-amino-5-[[(2r)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid (CED0106892)

Record Information

Version

1.0

Creation Date

2026-08-18 02:31:00 UTC

Update Date

2026-08-18 02:31:00 UTC

SynCED ID

CED0106892

Secondary Accession Numbers

CHEM148800

Identification

Common Name

(2s)-2-amino-5-[[(2r)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Class

Small Molecule

Description

(2s)-2-amino-5-[[(2r)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This organic compound has the chemical formula C10H18N2O5S and an average molecular weight of 278.33 g/mol. It is found in or released from one recorded source: Electrical & Electronic Equipment (Line Transmission Systems).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₈N₂O₅S

Average Molecular Mass

278.330 g/mol

Monoisotopic Mass

278.094 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H18N2O5S/c1-2-17-10(16)7(5-18)12-8(13)4-3-6(11)9(14)15/h6-7,18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1

InChI Key

IVEKVTHFAJJKGA-BQBZGAKWSA-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
2614.0 Log mg/kg [1500:4600]	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
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
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	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
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

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	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.395 Statistical Significance 2.10e-04 Supporting Reference Compounds 2 E-value 1.63483
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.395 Statistical Significance 0.0013 Supporting Reference Compounds 53 E-value 10.0426
Click to view 3D structure	Metabotropic glutamate receptor 6	P35349	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.395 Statistical Significance 4.20e-04 Supporting Reference Compounds 24 E-value 3.26967
Click to view 3D structure	Metabotropic glutamate receptor 4	P31423	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.31 Applicability Domain 0.395 Statistical Significance 0.0023 Supporting Reference Compounds 38 E-value 17.6718
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.395 Statistical Significance 6.30e-04 Supporting Reference Compounds 45 E-value 4.9045
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.395 Statistical Significance 6.40e-04 Supporting Reference Compounds 26 E-value 4.98235
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	P42260	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.395 Statistical Significance 3.70e-04 Supporting Reference Compounds 18 E-value 2.88042
Click to view 3D structure	Glutamate--cysteine ligase catalytic subunit	P48506	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.306 Statistical Significance 3.40e-04 Supporting Reference Compounds 1 E-value 2.64687
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.395 Statistical Significance 9.70e-04 Supporting Reference Compounds 39 E-value 7.55137
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.395 Statistical Significance 7.60e-04 Supporting Reference Compounds 13 E-value 5.91654
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.395 Statistical Significance 0.005 Supporting Reference Compounds 69 E-value 39.1582
Click to view 3D structure	Metabotropic glutamate receptor 8	P70579	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.395 Statistical Significance 9.10e-04 Supporting Reference Compounds 28 E-value 7.08428
Click to view 3D structure	Glutamine synthetase	P0A9C5	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.298 Low confidence Statistical Significance 3.60e-04 Supporting Reference Compounds 1 E-value 2.80257
Click to view 3D structure	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Q9H2M3	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.298 Low confidence Statistical Significance 3.30e-04 Supporting Reference Compounds 1 E-value 2.56902
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.395 Statistical Significance 5.90e-04 Supporting Reference Compounds 31 E-value 4.5931
Click to view 3D structure	Betaine--homocysteine S-methyltransferase 1	Q93088	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.292 Low confidence Statistical Significance 4.10e-04 Supporting Reference Compounds 1 E-value 3.19182
Click to view 3D structure	Glutamate receptor 3	P19492	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.395 Statistical Significance 4.70e-04 Supporting Reference Compounds 30 E-value 3.65891
Click to view 3D structure	Arginase	Q8I384	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.289 Low confidence Statistical Significance 4.00e-04 Supporting Reference Compounds 1 E-value 3.11397
Click to view 3D structure	Glutamate receptor 4	P48058	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.395 Statistical Significance 5.20e-04 Supporting Reference Compounds 25 E-value 4.04816
Click to view 3D structure	Glutamate receptor 1	P19490	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.395 Statistical Significance 0.0043 Supporting Reference Compounds 37 E-value 33.1638
Click to view 3D structure	Metabotropic glutamate receptor 8	O00222	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.395 Statistical Significance 0.0015 Supporting Reference Compounds 48 E-value 11.9888
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.282 Low confidence Statistical Significance 4.90e-04 Supporting Reference Compounds 2 E-value 3.81461
Click to view 3D structure	Glutamate receptor 1	P42261	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.395 Statistical Significance 0.0011 Supporting Reference Compounds 37 E-value 8.40772
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.395 Statistical Significance 8.00e-04 Supporting Reference Compounds 41 E-value 6.22794
Click to view 3D structure	Glutamate receptor 3	P42263	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.395 Statistical Significance 4.50e-04 Supporting Reference Compounds 16 E-value 3.50322