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N-Acetylserine-d3

CAT: 0804-HY-134222AS-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134222AS-01Size:1 mg
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Description
N-Acetylserine-d3 is the deuterium labeled N-Acetylserine. N-Acetylserine (N-Acetyl-L-serine) is a physiological inducer of cysteine biosynthesis and activator of CysB. N-Acetylserine can bind to the CysB apoprotein. N-Acetylserine stimulates cysJIH transcription in vitro. N-Acetylserine can be used in the research of SARS-CoV-2 infection[1][2][3][4][5].
CAS Number
2230887-17-7
UNSPSC
12352211
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
CC(N[C@](C([2H])([2H])O)([2H])C(O)=O)=O
Molecular Formula
C5H6D3NO4
Molecular Weight
150.15
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Lynch AS, et al. Characterization of the CysB protein of Klebsiella aerogenes: direct evidence that N-acetylserine rather than O-acetylserine serves as the inducer of the cysteine regulon. Biochem J. 1994 Apr 1;299 (Pt 1) (Pt 1) :129-36.|[3]Ostrowski J, et al. Molecular characterization of the cysJIH promoters of Salmonella typhimurium and Escherichia coli: regulation by cysB protein and N-acetyl-L-serine. J Bacteriol. 1989 Jan;171 (1) :130-40.|[4]Gama-Almeida MC, et al. Integrated NMR and MS Analysis of the Plasma Metabolome Reveals Major Changes in One-Carbon, Lipid, and Amino Acid Metabolism in Severe and Fatal Cases of COVID-19. Metabolites. 2023 Jul 24;13 (7) :879. |[5]Franke I, et al. YfiK from Escherichia coli promotes export of O-acetylserine and cysteine. J Bacteriol. 2003 Feb;185 (4) :1161-6.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

N-Acetyl-L-serine-2,3,3-D3
CAS Number2230887-17-7
PubChem CID163321971
IUPAC Name(2S)-2-acetamido-2,3,3-trideuterio-3-hydroxypropanoic acid
Molecular FormulaC5H9NO4
Molecular Weight150.15
XLogP-1.2
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity145
SMILES
[2H][C@@](C(=O)O)(C([2H])([2H])O)NC(=O)C
InChI
InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1/i2D2,4D
InChIKey
JJIHLJJYMXLCOY-BWBLNMPZSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-L-serine-2,3,3-D3
CAS: 2230887-17-7
CID: 163321971
Formula: C5H9NO4
MW: 150.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.15
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass150.07198801
Monoisotopic Mass150.07198801
Topological Polar Surface Area86.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity145
Isotope Atom Count3
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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