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经验公式(希尔记法):
C15H27N5O6
化学文摘社编号:
分子量:
373.40
UNSPSC Code:
12352209
PubChem Substance ID:
NACRES:
NA.26
MDL number:
产品名称
Ala-Ala-Ala-Ala-Ala,
SMILES string
CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(O)=O
InChI
1S/C15H27N5O6/c1-6(16)11(21)17-7(2)12(22)18-8(3)13(23)19-9(4)14(24)20-10(5)15(25)26/h6-10H,16H2,1-5H3,(H,17,21)(H,18,22)(H,19,23)(H,20,24)(H,25,26)
InChI key
XXAUOPDVAKGRPR-UHFFFAOYSA-N
assay
≥99% (TLC)
form
powder
color
white to off-white
Biochem/physiol Actions
L-Alanine has wide range of applications as food additive and as a component in infusion solutions. It is also used as a precursor for chemical and pharmaceutical products. In a penta-alanine system, resampling helps to increase the efficacy of a “fast-switch” equilibrium sampling protocol.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
法规信息
常规特殊物品
此项目有
Edward Lyman et al.
The Journal of chemical physics, 130(8), 081102-081102 (2009-03-05)
We recently applied a multistage reweighting scheme to demonstrate the sampling of equilibrium configurational distributions of peptides from nonequilibrium, simulated annealing trajectories [E. Lyman and D. M. Zuckerman, J. Chem. Phys. 127, 065101 (2007)]. Here we demonstrate that a statistical
Yunfen He et al.
Physical review letters, 101(17), 178103-178103 (2008-11-13)
Terahertz time domain spectroscopy shows that the protein dynamical transition, the rapid increase in protein dynamics occurring at approximately 200 K, needs neither tertiary nor secondary structure. Further, short chain alanine studies find a dynamical transition down to penta-alanine, with
Development of growth-arrested bioprocesses with Corynebacterium glutamicum for cellulosic ethanol production from complex sugar mixtures
Biorefineries: Integrated Biochemical Processes for Liquid Biofuels, 121-139 (2014)
Resampling improves the efficiency of a ?fast-switch? equilibrium sampling protocol
Biorefineries: Integrated Biochemical Processes for Liquid Biofuels (2009)
Panagiota S Georgoulia et al.
The journal of physical chemistry. B, 115(51), 15221-15227 (2011-11-18)
A computational solution to the protein folding problem is the holy grail of biomolecular simulation and of the corresponding force fields. The complexity of the systems used for folding simulations precludes a direct feedback between the simulations and the force
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