5-Mercapto-3-methyl-L-histidine
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5-Mercapto-3-methyl-L-histidine
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CAS No:
108418-13-9
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Formula:
C7H11N3O2S
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Chemical Name:
5-Mercapto-3-methyl-L-histidine
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Synonyms:
L-Histidine,5-mercapto-3-methyl-;5-Mercapto-3-methyl-L-histidine;Ovothiol A;L-Ovothiol A;133782-28-2
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CAS No:
Description
Ovothiol A is a L-histidine derivative that is L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively. It has a role as an antioxidant, a marine metabolite and a radical scavenger. It is an aryl thiol, a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of an ovothiol A zwitterion.
Computed Properties
Molecular Weight:201.25
XLogP3:-2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:201.05719778
Monoisotopic Mass:201.05719778
Topological Polar Surface Area:82.1
Heavy Atom Count:13
Complexity:202
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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