Chemical compound

Ergothioneine

(2S)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate

C9H15N3O2S

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SMILES

C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]

Properties

Formula: C9H15N3O2S
Molecular weight: 229.30 g/mol
PubChem CID: 5351619
InChIKey: SSISHJJTAXXQAX-ZETCQYMHSA-N
XLogP: 0.3
TPSA: 96.3 Å²
H-bond donors: 2
H-bond acceptors: 3

API access

/api/molecule?name=Ergothioneine

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