Hexanoyl glycine , CAS No.24003-67-6

CAS: 24003-67-6 Cat. No.: H275565 分子式: C₈H₁₅NO₃ 分子量: 173.21 EC番号: 998-939-2

Synonyms

Hexanoylglycine | n-Hexanoylglycine | N-hexanoyl-Glycine | Glycine, N-(1-oxohexyl)- | N-Caproylglycine | 2-hexanamidoaceticacid | 2-hexanamidoacetic acid | Caproylglycine | DTXSID60178739 | UV44XX9H2J | NSC224460 | NSC-224460 | EN300-190453 | HY-113150 |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

概要

Hexanoylglycine is an endogenous metabolite present in Urine that can be used for the research of Ethylmalonic Encephalopathy.

Specifications

同義語

Hexanoylglycine | n-Hexanoylglycine | N-hexanoyl-Glycine | Glycine, N-(1-oxohexyl)- | N-Caproylglycine | 2-hexanamidoaceticacid | 2-hexanamidoacetic acid | Caproylglycine | DTXSID60178739 | UV44XX9H2J | NSC224460 | NSC-224460 | EN300-190453 | HY-113150 |

生化学的・生理学的メカニズム

Acyl amino acid derivative used as a urinary biomarker for several indications. Increased urinary excretion of hexanoyl glycine in humans is indicative of a deficiency in medium-chain acyl-CoA dehydrogenase.

保管条件

Store at 2-8°C,Protected from light

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

名前と識別子

• カノニカル・スマイル: CCCCCC(=O)NCC(=O)O
• IUPAC Name: 2-(hexanoylamino)acetic acid
• InChIKey: UPCKIPHSXMXJOX-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
• 異性体SMILES: CCCCCC(=O)NCC(=O)O
• 分子量: 173.21
• Reaxy-Rn: 1773416
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773416&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha-amino acid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: N-acylglycine

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

化学的性質と物理的性質

• 溶解度: DMSO
• 感度: light & Moisture sensitive
• 分子量: 173.210 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 173.105 Da
• Monoisotopic Mass: 173.105 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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