Amino acids
Raw data of amino acids.
The following information is tab-separated:
- Name
- 3-Letter-Code
- 1-Letter-Code
- Molecular formula
- SMILES
- polar/nonpolar
- neutral/positive/negative
- Hydropathy index
- pI
- pK1 (-COOH)
- pK2 (-NH3)
Here is the data:
Alanine Ala A C3H7NO2 O=C(O)C(N)C nonpolar neutral 1.8 nonessential 6.01 2.35 9.87
Arginine Arg R C6H14N4O2 O=C(O)C(N)CCC/N=C(\N)N polar positive −4.5 essential 10.76 1.82 8.99
Asparagine Asn N C4H8N2O3 O=C(N)C[C@H](N)C(=O)O polar neutral −3.5 nonessential 5.41 2.14 8.72
Asparticacid Asp D C4H7NO4 O=C(O)CC(N)C(=O)O polar negative −3.5 nonessential 2.85 1.99 9.90
Cysteine Cys C C3H7NO2S C([C@@H](C(=O)O)N)S nonpolar neutral 2.5 nonessential 5.05 1.92 10.70
Glutamicacid Glu E C5H9NO4 C(CC(=O)O)C(C(=O)O)N polar negative −3.5 nonessential 3.15 2.10 9.47
Glutamine Gln Q C5H10N2O3 O=C(N)CCC(N)C(=O)O polar neutral −3.5 nonessential 5.65 2.17 9.13
Glycine Gly G C2H5NO2 C(C(=O)O)N nonpolar neutral −0.4 nonessential 6.06 2.35 9.78
Histidine His H C6H9N3O2 O=C(O)[C@@H](N)Cc1cncn1 polar neutral(90%)−3.2 essential 7.60 1.80 9.33
Isoleucine Ile I C6H13NO2 CC[C@H](C)[C@@H](C(=O)O)N nonpolar neutral 4.5 essential 6.05 2.32 9.76
Leucine Leu L C6H13NO2 CC(C)C[C@@H](C(=O)O)N nonpolar neutral 3.8 essential 6.01 2.33 9.74
Lysine Lys K C6H14N2O2 C(CCN)CC(C(=O)O)N polar positive −3.9 essential 9.60 2.16 9.06
Methionine Met M C5H11NO2S CSCCC(C(=O)O)N nonpolar neutral 1.9 essential 5.74 2.13 9.28
Phenylalanine Phe F C9H11NO2 c1ccc(cc1)C[C@@H](C(=O)O)N nonpolar neutral 2.8 essential 5.49 2.20 9.31
Proline Pro P C5H9NO2 C1CC(NC1)C(=O)O nonpolar neutral −1.6 nonessential 6.30 1.95 10.64
Serine Ser S C3H7NO3 C([C@@H](C(=O)O)N)O polar neutral −0.8 nonessential 5.68 2.19 9.21
Threonine Thr T C4H9NO3 C[C@H]([C@@H](C(=O)O)N)O polar neutral −0.7 essential 2.09 2.09 9.10
Tryptophan Trp W C11H12N2O2 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N nonpolar neutral −0.9 essential 5.89 2.46 9.41
Tyrosine Tyr Y C9H11NO3 N[C@@H](Cc1ccc(O)cc1)C(O)=O polar neutral −1.3 nonessential 5.64 2.20 9.21
Valine Val V C5H11NO2 CC(C)[C@@H](C(=O)O)N nonpolar neutral 4.2 essential 6.00 2.39 9.74
Of course also attached!
Please keep in mind that these files may be adjusted at any time, so take care to update them by your own! There is no guarantee for correctness!
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