(αS)-α-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
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(αS)-α-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
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CAS No:
2002-22-4
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Formula:
C6H9N3O2S
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Chemical Name:
(αS)-α-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
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Synonyms:
1H-Imidazole-4-propanoic acid,α-amino-2,3-dihydro-2-thioxo-,(αS)-;Histidine,2-mercapto-,L-;1H-Imidazole-4-propanoic acid,α-amino-2,3-dihydro-2-thioxo-,(S)-;(αS)-α-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid;L-2-Mercaptohistidine;L-Thiohistidine;2-Mercapto-L-histidine;L-2-Thiolhistidine;L-2-Thioxohistidine;(2S)-2-Azaniumyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate;(S)-2-Amino-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)propanoic acid;2-Mercaptohistidine
- Categories:
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CAS No:
(αS)-α-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid Basic Attributes
187.22
187.22
217-899-2
MH6EDB26P8
2933290090
Characteristics
120
0.16
1.5±0.1 g/cm3
320-325°C
376.3±52.0 °C at 760 mmHg
181.4±30.7 °C
1.695
-15°C
1.06E-06mmHg at 25°C
(αS)-α-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid Use and Manufacturing
An intermediate in the formation of L-egothioneine, a natural amino acid ubiquitously present in cells and tissues of most plants and mammalian species.In humans, L-ergothioneine is found in red blood cells, liver, kidney, brain, seminal fluid, and cataract-free lenses at concentrations ranging from 100 uM to 2 mM.L-ergothioneine is exclusively biosynthesized in fungi and mycobacteria.Hence, humans assimilate it through dietary intake.
Computed Properties
Molecular Weight:187.22
XLogP3:-3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:187.04154771
Monoisotopic Mass:187.04154771
Topological Polar Surface Area:120
Heavy Atom Count:12
Complexity:251
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(αS)-α-Amino-2,3-dihydro-2-thioxo-1H-imidazole-4-propanoic acid
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