Compound Details

 Compound-ID 13567
 Common Name Mycothione
 InChI InChI=1S/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(55)23(51)20(48)24(52)28(30)56/h9-30,33-34,39-40,43-56H,3-6H2,1-2H3,(H,35,41)(H,36,42)(H,37,57)(H,38,58)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23-,24+,25+,26+,27+,28+,29-,30-,33+,34+/m0/s1
 SMILES CC(=O)NC(CSSCC(NC(C)=O)C(=O)NC2C(O)C(O)C(CO)OC2(OC1C(O)C(O)C(O)C(O)C1(O)))C(=O)NC4C(O)C(O)C(CO)OC4(OC3C(O)C(O)C(O)C(O)C3(O))
 External Links
 KEGG-COMPOUND-ID C11502
 PUBCHEM-ID 13672
 ChEBI-ID 16086
7041
59603
14627
 METACYC-ID MYCOTHIONE
 METANETX-ID MNXM732149


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