ergothioneyl-N-demethyllincomycin

Properties Image Occurences in reactions MNX_ID MNXM1132246 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C25H44N5O8S charge 1 mass 574.29051 reference metacycM:CPD-22831 InChIKey DKFFQALPITZFKX-UKKAYZACSA-O InChI InChI=1S/C25H43N5O8S/c1-6-7-13-8-15(26-10-13)22(35)29-17(12(2)31)21-19(33)18(32)20(34)24(38-21)39-25-27-11-14(28-25)9-16(23(36)37)30(3,4)5/h11-13,15-21,24,26,31-34H,6-10H2,1-5H3,(H2-,27,28,29,35,36,37)/p+1/t12-,13-,15+,16+,17-,18+,19-,20-,21-,24-/m1/s1 SMILES CCC[C@H]1C[NH2+][C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](Sc3nc(C[C@@H](C(=O)[O-])[N+](C)(C)C)c[nH]3)[C@H](O)[C@@H](O)[C@H]2O)C1

Parent-child relations graph

Deprecated MNXref IDs graph