Phenaceturic Acid - 10mM in DMSO , CAS No.500-98-1

CAS: 500-98-1 Cat. No.: P424317 Formule: C₁₀H₁₁NO₃ Poids moléculaire: 193.2 Numéro CE: 207-916-1

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

HY-W015061 | Phenacetylglycine | N-Phenacetylglycine | Cambridge id 5117723 | Phenaceturate | bmse000658 | 2-(2-Phenylacetamido)Acetic Acid | EINECS 207-916-1 | N-(2-PHENYLACETYL)GLYCINE | P0131 | PHENATURIC ACID | C05598 | GLYCINE, N-(2-PHENYLACETYL)- |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

It is a metabolite of carboxylic acid

Spécifications

Synonymes

HY-W015061 | Phenacetylglycine | N-Phenacetylglycine | Cambridge id 5117723 | Phenaceturate | bmse000658 | 2-(2-Phenylacetamido)Acetic Acid | EINECS 207-916-1 | N-(2-PHENYLACETYL)GLYCINE | P0131 | PHENATURIC ACID | C05598 | GLYCINE, N-(2-PHENYLACETYL)- |

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

Phenylacetylglycine is an acylglycine. Acylglycines are normally minor metabolites of fatty acids. However, the excretion of certain acylglycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528775236

Sourires canoniques

C1=CC=C(C=C1)CC(=O)NCC(=O)O

IUPAC Name

2-[(2-phenylacetyl)amino]acetic acid

InChIKey

UTYVDVLMYQPLQB-UHFFFAOYSA-N

INCHI

1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)

Isomères SMILES

C1=CC=C(C=C1)CC(=O)NCC(=O)O

Poids moléculaire

193.2

Reaxy-Rn

1107116

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1107116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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: Benzene and substituted derivatives 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: Aromatic homomonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - Monocyclic benzene moiety - Benzenoid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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: monocarboxylic acid - monocarboxylic acid amide - 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

Cibles associées (humaines)

PAM Tchem Peptidyl-glycine alpha-amidating monooxygenase (90 Activities)

Discover Target: PAM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 143 - 147°C
• Poids moléculaire: 193.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• 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