Ala-Ala-Ala.TFA - ≥98% , CAS No.5874-90-8

CAS: 5874-90-8 Cat. No.: A121365 Molecular Weight: 231.25 EC Number: 227-538-0

GRADE & PURITY ≥98%

Synonyms

EINECS 227-538-0 | alanylalanylalanine | Alanyl-alanyl-alanine | Tri-L-alanine | Ala-Ala-Ala | L-alanyl-L-alanyl-L-alanine | N-L-Alanyl-N-L-alanyl-L-alanine | CHEBI:73313 | BYXHQQCXAJARLQ-ZLUOBGJFSA-N | H-Ala-Ala-Ala-OH | (S)-2-((S)-2-((S)-2-Aminopropanam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Trialanine (Ala-Ala-Ala) may be used along with other short chain alanines, tetra- and penta-alanine, as model compounds to study physicochemical parameters of small peptides.

Specifications

Synonyms

EINECS 227-538-0 | alanylalanylalanine | Alanyl-alanyl-alanine | Tri-L-alanine | Ala-Ala-Ala | L-alanyl-L-alanyl-L-alanine | N-L-Alanyl-N-L-alanyl-L-alanine | CHEBI:73313 | BYXHQQCXAJARLQ-ZLUOBGJFSA-N | H-Ala-Ala-Ala-OH | (S)-2-((S)-2-((S)-2-Aminopropanam

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763863
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763863
• Canonical Smiles: CC(C(=O)NC(C)C(=O)NC(C)C(=O)O)N
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid
• InChIKey: BYXHQQCXAJARLQ-ZLUOBGJFSA-N
• INCHI: 1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 231.25
• Reaxy-Rn: 1728077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728077&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 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: tripeptide

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

Associated Targets(Human)

SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

Discover Target: SLC15A1

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

Associated Targets(non-human)

Tpp2 Tripeptidyl aminopeptidase (141 Activities)

Discover Target: Tpp2

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

Saccharomyces cerevisiae (19171 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 231.250 g/mol
• XLogP3: -4.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 231.122 Da
• Monoisotopic Mass: 231.122 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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