Nε-(1-Carboxymethyl)-L-lysine-d4 - ≥98 atom% D,≥95% , CAS No.936233-18-0

CAS: 936233-18-0 Cat. No.: N334643 Molecular Weight: 208.25

GRADE & PURITY ≥98 atom% D,≥95%

Synonyms

AKOS015969257 | N~6~-(Carboxymethyl)-L-(4,4,5,5-~2~H_4_)lysine | (2S)-2-amino-6-(carboxymethylamino)-4,4,5,5-tetradeuteriohexanoic acid | (2S)-2-amino-6-[(carboxymethyl)amino](4,4,5,5-?H?)hexanoic acid | CML-d4 | HY-W286743S | MFCD18381993 | 936233-18-0 u

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

CEL and CML are two stable, nonenzymatic chemical modifications of protein lysine residues resulting from glycation and oxidation reactions.

Specifications

Synonyms

AKOS015969257 | N~6~-(Carboxymethyl)-L-(4, 4, 5, 5-~2~H_4_)lysine | (2S)-2-amino-6-(carboxymethylamino)-4, 4, 5, 5-tetradeuteriohexanoic acid | (2S)-2-amino-6-[(carboxymethyl)amino](4, 4, 5, 5-?H?)hexanoic acid | CML-d4 | HY-W286743S | MFCD18381993 | 936233-18-0 u

Specifications & Purity

≥98 atom% D, ≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥95%

Names and Identifiers

• Canonical Smiles: C(CCNCC(=O)O)CC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-6-(carboxymethylamino)-4,4,5,5-tetradeuteriohexanoic acid
• InChIKey: NUXSIDPKKIEIMI-WCEGGVOZSA-N
• INCHI: 1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1/i1D2,2D2
• Isomeric SMILES: [2H]C([2H])(C[C@@H](C(=O)O)N)C([2H])([2H])CNCC(=O)O
• Alternate CAS: 936233-18-0；unlabelled: 5746-04-3
• Molecular Weight: 208.25
• Reaxy-Rn: 56797983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56797983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Medium-chain fatty acids Amino fatty acids Dicarboxylic acids and derivatives Amino acids Dialkylamines Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Medium-chain fatty acid - Amino fatty acid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Water (Slightly)
• Sensitivity: Hygroscopic
• Molecular Weight: 208.250 g/mol
• XLogP3: -5.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 208.136 Da
• Monoisotopic Mass: 208.136 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1