(2r)-3-(carboxymethylsulfanyl)-2-(oxaldehydoylamino)propanoic acid (CED0312667)

Record Information
Version1.0
Creation Date2026-09-01 11:56:06 UTC
Update Date2026-09-01 11:56:06 UTC
Accession NumberCHEM358499
Identification
Common Name(2r)-3-(carboxymethylsulfanyl)-2-(oxaldehydoylamino)propanoic acid
ClassSmall Molecule
Description
(2r)-3-(carboxymethylsulfanyl)-2-(oxaldehydoylamino)propanoic acid is a chemical compound with the formula C7H9NO6S. It has an average molecular weight of 235.22 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H9NO6S
Average Molecular MassNot Available
Monoisotopic Mass235.015 g/mol
CAS Registry Number1268868-51-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(C(C(=O)O)NC(=O)C=O)SCC(=O)O
InChI IdentifierInChI=1S/C7H9NO6S/c9-1-5(10)8-4(7(13)14)2-15-3-6(11)12/h1,4H,2-3H2,(H,8,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChI KeyGEPLANMDLRORQN-BYPYZUCNSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2508.0Log mg/kg[1400:4500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carboxypeptidase M structureClick to view 3D structureCarboxypeptidase MP14384HumansPredicted (SEA)0.544945
Click to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)294.348
Click to view 3D structureDihydroxyacetone phosphate acyltransferaseO15228HumansPredicted (SEA)28.415
Sialin structureClick to view 3D structureSialinQ9NRA2HumansPredicted (SEA)11.8331
Angiotensin-converting enzyme structureClick to view 3D structureAngiotensin-converting enzymeP12821HumansPredicted (SEA)518.164
Glutamate carboxypeptidase 2 structureClick to view 3D structureGlutamate carboxypeptidase 2Q04609HumansPredicted (SEA)62.5129
Click to view 3D structureS-ribosylhomocysteine lyaseP45578Escherichia coli K-12Predicted (SEA)5.0602
Click to view 3D structureS-ribosylhomocysteine lyaseQ9Z5X1Vibrio campbelliiPredicted (SEA)5.0602
Betaine--homocysteine S-methyltransferase 1 structureClick to view 3D structureBetaine--homocysteine S-methyltransferase 1Q93088HumansPredicted (SEA)8.32987
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)5.83869
Click to view 3D structurePeptidyl-glycine alpha-amidating monooxygenaseP19021HumansPredicted (SEA)274.886
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)495.277
Click to view 3D structureGlutamate carboxypeptidase 2P70627Rattus norvegicusPredicted (SEA)12.6894
Neprilysin structureClick to view 3D structureNeprilysinP08473HumansPredicted (SEA)762.066
Solute carrier family 15 member 2 structureClick to view 3D structureSolute carrier family 15 member 2Q16348HumansPredicted (SEA)178.353
Click to view 3D structureNeprilysinQ61391Mus musculusPredicted (SEA)337.71
Caspase-3 structureClick to view 3D structureCaspase-3P42574HumansPredicted (SEA)1735.41
Caspase-8 structureClick to view 3D structureCaspase-8Q14790HumansPredicted (SEA)447.322
Caspase-7 structureClick to view 3D structureCaspase-7P55210HumansPredicted (SEA)510.691
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)1080.08
Click to view 3D structureN-acetylaspartylglutamate synthase AQ8IXN7HumansPredicted (SEA)2.56902
Click to view 3D structureLeukotriene A-4 hydrolaseP19602Cavia porcellusPredicted (SEA)1.55698
Click to view 3D structureProtein-S-isoprenylcysteine O-methyltransferaseP32584Saccharomyces cerevisiae S288cPredicted (SEA)1.01204
Gamma-glutamyl hydrolase structureClick to view 3D structureGamma-glutamyl hydrolaseQ92820HumansPredicted (SEA)3.34752
Click to view 3D structureCarboxypeptidase G2Q9I056Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)16.1926
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available