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Structure

L-(+)-Ergothioneine

CAS
497-30-3
Catalog Number
ACM497303
Category
Other Products
Molecular Weight
229.3
Molecular Formula
C9H15N3O2S

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Specification

Description
L-(+)-Ergothioneine (ET) is a sulfur-containing amino acid, which is only produced by Actinomycetales bacteria and non-yeast like fungi belonging to the division Basidiomycota and Ascomycota. It was originally isolated from Claviceps purpurea or rye ergot. It is obtained from L-histidine, which is converted into betaine form called hercynine. It is found in both animals and plants, and mammals usually obtain it from their diet, e.g. through mushrooms or oats. It is tautomeric in nature, and in neutral aqueous solution exists in thione form.
Synonyms
L-Ergothioneine; (+)-Ergothioneine; Thiasine; Sympectothion; Ergothionine; Erythrothioneine; Thiolhistidinebetaine
Melting Point
275-277°C (dec.)
Appearance
Colorless liquid
EC Number
207-843-5
pH
7.0-8.0
Quality Level
200
Storage Conditions
−20°C
What is the molecular formula of L-(+)-Ergothioneine?

The molecular formula of L-(+)-Ergothioneine is C9H15N3O2S.

What is the molecular weight of L-(+)-Ergothioneine?

The molecular weight of L-(+)-Ergothioneine is 229.30 g/mol.

What is the IUPAC name of L-(+)-Ergothioneine?

The IUPAC name of L-(+)-Ergothioneine is (2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate.

What are the synonyms of L-(+)-Ergothioneine?

The synonyms of L-(+)-Ergothioneine are ERGOTHIONEINE, L-Ergothioneine, 497-30-3, L-Ergothioneine, Sympectothion.

Is L-(+)-Ergothioneine a naturally occurring metabolite?

Yes, L-(+)-Ergothioneine is a naturally occurring metabolite.

What are the properties of L-(+)-Ergothioneine?

The properties of L-(+)-Ergothioneine include antioxidant properties, being a fungal metabolite, a plant metabolite, a xenobiotic metabolite, and a chelator.

What is the InChIKey of L-(+)-Ergothioneine?

The InChIKey of L-(+)-Ergothioneine is SSISHJJTAXXQAX-ZETCQYMHSA-N.

Does L-(+)-Ergothioneine have hydrogen bond donor and acceptor counts?

Yes, L-(+)-Ergothioneine has 2 hydrogen bond donor counts and 3 hydrogen bond acceptor counts.

What is the topological polar surface area of L-(+)-Ergothioneine?

The topological polar surface area of L-(+)-Ergothioneine is not provided in the reference.

What are some other identifiers of L-(+)-Ergothioneine?

Some other identifiers of L-(+)-Ergothioneine include CAS number 497-30-3, European Community (EC) number 207-843-5, UNII BDZ3DQM98W, ChEMBL ID CHEMBL5209630, and RXCUI 1314350.

What is the CAS number of L-(+)-Ergothioneine?

The CAS number of L-(+)-Ergothioneine is 497-30-3.

What is the European Community (EC) number of L-(+)-Ergothioneine?

The European Community (EC) number of L-(+)-Ergothioneine is 207-843-5.

What is the UNII (FDA Global Substance Registration System) number of L-(+)-Ergothioneine?

The UNII number of L-(+)-Ergothioneine is BDZ3DQM98W.

What is the ChEMBL ID of L-(+)-Ergothioneine?

The ChEMBL ID of L-(+)-Ergothioneine is CHEMBL5209630.

What are the computed properties of L-(+)-Ergothioneine?

The computed properties of L-(+)-Ergothioneine include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, and monoisotopic mass.

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