Compound Details

 Compound-ID 31692
 Common Name S-(Hercyn-2-yl)-L-cysteine S-oxide
 Synonyms S-(beta-Amino-beta-carboxyethyl)ergothioneine
Hercynylcysteine sulfoxide
 InChI InChI=1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/t8-,9-,22?/m0/s1
 SMILES C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](N)C(O)=O)C([O-])=O
 External Links
 KEGG-COMPOUND-ID C20994
 PUBCHEM-CID 86289740
 ChEBI-ID 79057
 CHEMSPIDER-ID 34448532


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