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About This Item
Empirical Formula (Hill Notation):
C9H17N3O4
CAS Number:
Molecular Weight:
231.25
EC Number:
MDL number:
UNSPSC Code:
12352209
PubChem Substance ID:
NACRES:
NA.26
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Product Name
Ala-Ala-Ala,
Assay
≥98% (TLC)
Quality Level
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
Regulatory Information
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Kazuo Yamauchi et al.
Journal of magnetic resonance (San Diego, Calif. : 1997), 190(2), 327-332 (2007-12-07)
(17)O chemical shifts of Ala-Ala-Ala, with parallel and anti-parallel beta-sheet structures, are observed using a 930-MHz high-resolution solid-state NMR spectrometer. Ala-Ala-Ala serves as a model sheet-forming peptide because it can be easily prepared as either a parallel or an anti-parallel
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
Kaicong Cai et al.
Physical chemistry chemical physics : PCCP, 11(40), 9149-9159 (2009-10-09)
A molecular mechanics (MM) force field-based empirical electrostatic potential map (MM map) for amide-I vibrations is developed with the aim of seeking a quick and reasonable approach to computing local mode parameters and their distributions in solution phase. Using N-methylacetamide
Róisín Moriarty et al.
Thrombosis and haemostasis, 113(2), 290-304 (2014-11-22)
The integrin αIIbβ3 on resting platelets can bind to immobilised fibrinogen resulting in platelet spreading and activation but requires activation to bind to soluble fibrinogen. αIIbβ3 is known to interact with the general integrin-recognition motif RGD (arginine-glycine-aspartate) as well as
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