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A9627

Sigma-Aldrich

Ala-Ala-Ala

≥98% (TLC)

Synonym(s):

Tri-L-alanine

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About This Item

Empirical Formula (Hill Notation):
C9H17N3O4
CAS Number:
5874-90-8
Molecular Weight:
231.25
EC Number:
227-538-0
MDL number:
MFCD00025557
UNSPSC Code:
12352209
PubChem Substance ID:
24891479
NACRES:
NA.26

product name

Ala-Ala-Ala,

Assay

≥98% (TLC)

form

powder

color

white

storage temp.

−20°C

SMILES string

C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O

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

InChI key

BYXHQQCXAJARLQ-ZLUOBGJFSA-N

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Amino Acid Sequence

Ala-Ala-Ala

Application

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sigma-Aldrich

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Sigma-Aldrich

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Fabrizio Marinelli et al.
PLoS computational biology, 5(8), e1000452-e1000452 (2009-08-08)
Trp-cage is a designed 20-residue polypeptide that, in spite of its size, shares several features with larger globular proteins.Although the system has been intensively investigated experimentally and theoretically, its folding mechanism is not yet fully understood. Indeed, some experiments suggest
Mandy C Green et al.
The Journal of chemical physics, 138(7), 074111-074111 (2013-03-01)
An open-shell extension of the pair interaction energy decomposition analysis (PIEDA) within the framework of the fragment molecular orbital (FMO) method is developed. The open-shell PIEDA method allows the analysis of inter- and intramolecular interactions in terms of electrostatic, exchange-repulsion
Jos Oomens et al.
Journal of the American Society for Mass Spectrometry, 21(5), 698-706 (2010-02-26)
We present the first infrared spectra of a mass-selected deprotonated peptide anion (AlaAlaAla) and its decarboxylated fragment anion formed by collision induced dissociation. Spectra are obtained by IRMPD spectroscopy using an FTICR mass spectrometer in combination with the free electron
Reinhard Schweitzer-Stenner
The journal of physical chemistry. B, 113(9), 2922-2932 (2009-02-27)
The conformational preference of individual amino acid residues in the unfolded state of peptides and proteins is the subject of a continuous debate. Research has mostly been focused on alanine, owing to its abundance in proteins and its relevance for
Wenfei Li et al.
The Journal of chemical physics, 130(21), 214108-214108 (2009-06-11)
Biomolecular systems are inherently hierarchic and many simulation methods that try to integrate atomistic and coarse-grained (CG) models have been proposed, which are called multiscale simulations. Here, we propose a new multiscale molecular dynamics simulation method which can achieve high
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