Cat Number: CIA497303

Ergothioneine

CAS Number

497-30-3

Synonyms

ERGOLD;2-MERCAPTOHISTIDINE BETAINE;(S)-ALPHA-CARBOXY-2,3-DIHYDRO-N,N,N-TRIMETHYL-2-THIOXO-1H-IMIDAZOLE-4-ETHANAMINIUM INNER SALT;THIONEINE;(S)-[1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl]trimethylammonium hydroxide;1H-Imidazole-4-ethanaminium, .alpha.-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (.alpha.S)-;3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-trimethylammonio-propanoate

INCI Name

Ergothioneine

Description

Ergothioneine is a naturally-occurring amino acid derived from histidine via hercynine.

Molecular Weight

229.3

Molecular Formula

C9H15N3O2S

EINECS

207-843-5

InChI

InChI=1/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/s3

InChIKey

SSISHJJTAXXQAX-KPOCXSGKNA-N

SMILES

[N+](C)(C)(C)[C@@H](CC1=CNC(S)=N1)C([O-])=O |&1:4,r|

Appearance

White Solid.

Color

White or off-white

Storage

-20℃

Density, g/cm3

1.2541 (rough estimate)

Melting Point

275-277℃ (dec.)

Refractive Index

1.6740 (estimate)

HOURS

Daily: 9.30 AM–6.00 PM
Sunday : 9.30 AM–1.00 PM
Holidays: Closed

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