Troponin I (104-115)
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Basic information
- CAS
98353-69-6- Standard SMILES
CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C- InChIKey
RIGIYQFULOLFNC-DNCXWKQBSA-N- Molecular formula
- C70H123N27O13
- Average molar mass
- 1,550.9 g/mol
- Monoisotopic mass
- 1,549.97936709
Overview
amino acid sequence given in first source
Names & identifiers
- Preferred name
- Troponin I (104-115)
- IUPAC
- (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-6-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- English name
- troponin I (104-115)
- Molecular formula
- C70H123N27O13
- Molecular weight
- 1550.9
Names & synonyms
Troponin I (104-115)98353-69-6Tni peptide (104-115)Ac-Gly-lys-phe-lys-arg-pro-pro-leu-arg-arg-val-arg-NH2DTXSID40243555N-Acetyl-glycyl-lysyl-phenylalanyl-lysyl-arginyl-prolyl-prolyl-leucyl-arginyl-arginyl-valyl-arginyl-amideRefChem:192269DTXCID70166046L-Argininamide, N-acetylglycyl-L-lysyl-L-phenylalanyl-L-lysyl-L-arginyl-L-prolyl-L-prolyl-L-leucyl-L-arginyl-L-arginyl-L-valyl-orb1987129AKOS040746425(S)-1-(acetylglycyl-L-lysyl-L-phenylalanyl-L-lysyl-L-arginyl-L-prolyl)-N-((S)-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-amino-5-guanidino-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
Show more names
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-6-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Properties
Computed structural propertiesFilling in
- XLogP
- -5.1
- Topological polar surface area
- 684 Ų
- Hydrogen bond donors
- 21
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 51
- Heavy atoms
- 110
- Formal charge
- 0
- Complexity
- 3,130
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 13.26 · 13.26±0.46(Predicted)
Chemistry & industry
Applications
DescriptionTroponin I (104-115) is a cardiac and skeletal muscle protein useful in the laboratory diagnosis of heart attack. It occurs in different plasma concentration but the same circumstances as troponin T - either test can be performed for confirmation of cardiac muscle damage and laboratories usually offer one test or the other._x000D_ Troponin I is a part of the troponin protein complex, where it binds to actin in thin myofilaments to hold the actin-tropomyosin complex in place. Because of it, myosin cannot bind actin in relaxed muscle. When calcium binds to the troponin C it causes conformational changes which lead to dislocation of troponin I and finally tropomyosin leaves the binding site for myosin on actin leading to contraction of muscle. The letter I is given due to its inhibitory character.
Related reactions
0 records
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Compound notes
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