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| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A121365-100mg |
100mg |
现货 ![]() |
| |
| A121365-500mg |
500mg |
期货 ![]() |
|
| 英文别名 | 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 |
|---|---|
| 规格或纯度 | ≥98% |
| 英文名称 | Ala-Ala-Ala.TFA |
| 应用 | 丙氨酰丙氨酰丙氨酸(Trialanine)可用于和其它短链丙氨酸,四-和五-丙氨酸合用作为模型化合物,研究小肽的物理化学参数。 |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
丙氨酰丙氨酰丙氨酸(Trialanine)可用于和其它短链丙氨酸,四-和五-丙氨酸合用作为模型化合物,研究小肽的物理化学参数。 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. |
| 纯度 | ≥98% |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| PubChem SID | 504763863 |
|---|---|
| EC号 | 227-538-0 |
| 分子类型 | 蛋白质 |
| IIUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoic acid |
| 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 |
| Smiles | CC(C(=O)NC(C)C(=O)NC(C)C(=O)O)N |
| Isomeric SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)N |
| 分子量 | 231.25 |
| Reaxy-Rn | 1728077 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728077&ln= |
| 分子量 | 231.250 g/mol |
|---|---|
| XLogP3 | -4.700 |
| 氢键供体数Hydrogen Bond Donor Count | 4 |
| 氢键受体数Hydrogen Bond Acceptor Count | 5 |
| 可旋转键计数Rotatable Bond Count | 5 |
| 精确质量Exact Mass | 231.122 Da |
| 单同位素质量Monoisotopic Mass | 231.122 Da |
| 拓扑极表面积Topological Polar Surface Area | 122.000 Ų |
| 重原子数Heavy Atom Count | 16 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 292.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 3 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| WGK Germany | 3 |
|---|
| 1. Fatma Eker,Kai Griebenow,Reinhard Schweitzer-Stenner. (2003-07-03) Stable conformations of tripeptides in aqueous solution studied by UV circular dichroism spectroscopy.. Journal of the American Chemical Society, 125 ((27)): (8178-8185). [PMID:12837087] |
| 2. E Rödel,M Messerschmidt,B Dittrich,P Luger. (2006-02-01) Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.. Organic & biomolecular chemistry, 4 ((3)): (475-481). [PMID:16446805] |
| 3. Ronghu Wu,Terry B McMahon. (2007-08-28) Infrared multiple photon dissociation spectroscopy as structural confirmation for GlyGlyGlyH+ and AlaAlaAlaH+ in the gas phase. Evidence for amide oxygen as the protonation site.. Journal of the American Chemical Society, 129 ((37)): (11312-11313). [PMID:17718566] |
| 4. Maxim V Fedorov,Jonathan M Goodman,Stephan Schumm. (2007-10-11) Solvent effects and hydration of a tripeptide in sodium halide aqueous solutions: an in silico study.. Physical chemistry chemical physics : PCCP, 9 ((40)): (5423-5435). [PMID:17925969] |
| 5. Jos Oomens,Sarah Young,Sam Molesworth,Michael van Stipdonk. (2008-11-18) Spectroscopic evidence for an oxazolone structure of the b(2) fragment ion from protonated tri-alanine.. Journal of the American Society for Mass Spectrometry, 20 ((2)): (334-339). [PMID:19013079] |
| 6. Reinhard Schweitzer-Stenner. (2009-02-27) Distribution of conformations sampled by the central amino acid residue in tripeptides inferred from amide I band profiles and NMR scalar coupling constants.. The journal of physical chemistry. B, 113 ((9)): (2922-2932). [PMID:19243204] |
| 7. Chi-Kit Siu,Yuzhu Guo,Irine S Saminathan,Alan C Hopkinson,K W Michael Siu. (2009-12-31) Optimization of parameters used in algorithms of ion-mobility calculation for conformational analyses.. The journal of physical chemistry. B, 114 ((2)): (1204-1212). [PMID:20039660] |
| 8. Kwang-Im Oh,Kyung-Koo Lee,Eun-Kyung Park,Dong-Geun Yoo,Geum-Sook Hwang,Minhaeng Cho. (2010-11-03) Circular dichroism eigenspectra of polyproline II and β-strand conformers of trialanine in water: Singular value decomposition analysis.. Chirality, 22 Suppl 1 (E186-E201). [PMID:21038390] |
| 9. Marianne T Bauer,Kelly A Gilmore,Sarah A Petty. (2011-02-19) Formation of β-sheets in glutamine and alanine tripeptides.. Biochemical and biophysical research communications, 406 ((3)): (348-352). [PMID:21329666] |
| 10. Baolei Jia,Sangmin Lee,Bang Phuong Pham,Jae Myeng Kwack,Haifeng Jin,Jian Li,Yuhan Wang,Gang-Won Cheong. (2011-06-15) Biochemical characterization of deblocking aminopeptidases from the hyperthermophilic archaeon Thermococcus kodakarensis KOD1.. Bioscience, biotechnology, and biochemistry, 75 ((6)): (1160-1166). [PMID:21670507] |
| 11. Siobhan Toal,Omid Amidi,Reinhard Schweitzer-Stenner. (2011-07-07) Conformational changes of trialanine induced by direct interactions between alanine residues and alcohols in binary mixtures of water with glycerol and ethanol.. Journal of the American Chemical Society, 133 ((32)): (12728-12739). [PMID:21728315] |
| 12. Pedro Salvador,I-Hsien Midas Tsai,J J Dannenberg. (2011-09-08) J-coupling constants for a trialanine peptide as a function of dihedral angles calculated by density functional theory over the full Ramachandran space.. Physical chemistry chemical physics : PCCP, 13 ((39)): (17484-17493). [PMID:21897927] |
| 13. Ming Chen,Michel A Cuendet,Mark E Tuckerman. (2012-07-19) Heating and flooding: a unified approach for rapid generation of free energy surfaces.. The Journal of chemical physics, 137 ((2)): (024102-024102). [PMID:22803523] |
| 14. Mandy C Green,Dmitri G Fedorov,Kazuo Kitaura,Joseph S Francisco,Lyudmila V Slipchenko. (2013-03-01) Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides.. The Journal of chemical physics, 138 ((7)): (074111-074111). [PMID:23445001] |
| 15. Róisín Moriarty,Ciara A McManus,Matthew Lambert,Thea Tilley,Marc Devocelle,Marian Brennan,Steven W Kerrigan,Dermot Cox. (2014-11-22) A novel role for the fibrinogen Asn-Gly-Arg (NGR) motif in platelet function.. Thrombosis and haemostasis, 113 ((2)): (290-304). [PMID:25413489] |
| 16. Yi Sun,Moran Frenkel-Pinter,Charles L Liotta,Martha. (2019-12-07) The pH dependent mechanisms of non-enzymatic peptide bond cleavage reactions.. Physical chemistry chemical physics : PCCP, 22 ((1)): (107-113). [PMID:31807746] |
| 17. Tetsuo Asakura,Michi Okonogi,Yasumoto Nakazawa,Kazuo Yamauchi. (2006-05-04) Structural analysis of alanine tripeptide with antiparallel and parallel beta-sheet structures in relation to the analysis of mixed beta-sheet structures in Samia cynthia ricini silk protein fiber using solid-state NMR spectroscopy.. Journal of the American Chemical Society, 128 ((18)): (6231-6238). [PMID:16669693] |
| 18. Roman D Gorbunov,Phuong H Nguyen,Maja Kobus,Gerhard Stock. (2007-02-17) Quantum-classical description of the amide I vibrational spectrum of trialanine.. The Journal of chemical physics, 126 ((5)): (054509-054509). [PMID:17302487] |
| 19. Annegret Biegel,Sabine Gebauer,Bianka Hartrodt,Ilka Knütter,Klaus Neubert,Matthias Brandsch,Iris Thondorf. (2007-07-24) Recognition of 2-aminothiazole-4-acetic acid derivatives by the peptide transporters PEPT1 and PEPT2.. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 32 ((1)): (69-76). [PMID:17644326] |
| 20. Kazuo Yamauchi,Michi Okonogi,Hiromichi Kurosu,Masataka Tansho,Tadashi Shimizu,Terry Gullion,Tetsuo Asakura. (2007-12-07) High field 17O solid-state NMR study of alanine tripeptides.. Journal of magnetic resonance (San Diego, Calif. : 1997), 190 ((2)): (327-332). [PMID:18060815] |
| 21. Wenfei Li,Shoji Takada. (2009-06-11) Self-learning multiscale simulation for achieving high accuracy and high efficiency simultaneously.. The Journal of chemical physics, 130 ((21)): (214108-214108). [PMID:19508057] |
| 22. Fabrizio Marinelli,Fabio Pietrucci,Alessandro Laio,Stefano Piana. (2009-08-08) A kinetic model of trp-cage folding from multiple biased molecular dynamics simulations.. PLoS computational biology, 5 ((8)): (e1000452-e1000452). [PMID:19662155] |
| 23. Kaicong Cai,Chen Han,Jianping Wang. (2009-10-09) Molecular mechanics force field-based map for peptide amide-I mode in solution and its application to alanine di- and tripeptides.. Physical chemistry chemical physics : PCCP, 11 ((40)): (9149-9159). [PMID:19812835] |
| 24. Jos Oomens,Jeffrey D Steill. (2010-02-26) The structure of deprotonated tri-alanine and its a3- fragment anion by IR spectroscopy.. Journal of the American Society for Mass Spectrometry, 21 ((5)): (698-706). [PMID:20181492] |
| 25. Phuong H Nguyen. (2010-04-22) Replica exchange simulation method using temperature and solvent viscosity.. The Journal of chemical physics, 132 ((14)): (144109-144109). [PMID:20405987] |
| 26. Edgardo Rivera-Tirado,Chrys Wesdemiotis. (2011-07-15) Fragmentation characteristics of b(n) (n=2-15) ions from protonated peptides.. Rapid communications in mass spectrometry : RCM, 25 ((16)): (2283-2290). [PMID:21755549] |
| 27. Zeeshan Ahmed,Shin Grace Chou,Karen Siegrist,David F Plusquellic. (2011-01-01) State-resolved THz spectroscopy and dynamics of crystalline peptide-water systems.. Faraday discussions, 150 (175-192). [PMID:22457948] |
| 28. Siobhan Toal,Derya Meral,Daniel Verbaro,Brigita Urbanc,Reinhard Schweitzer-Stenner. (2013-03-02) pH-Independence of trialanine and the effects of termini blocking in short peptides: a combined vibrational, NMR, UVCD, and molecular dynamics study.. The journal of physical chemistry. B, 117 ((14)): (3689-3706). [PMID:23448349] |