Molecule ID: 86289410

IUPAC Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-4-methoxy-3,5-dimethyloxan-2-yl]propanoic acid

Description: The molecule is a polyether antibiotic produced by a strain of Streptomyces mutabilis NRRL 8088. It has a role as a bacterial metabolite and an ionophore. It is a polyether antibiotic, a spiroketal, a 3-hydroxy monocarboxylic acid, a cyclic hemiketal and a member of oxolanes. It is a conjugate acid of a mutalomycin(1-).

SMILES: CO[C@H]1[C@@H](C)[C@@H]([C@H](C)[C@H]2O[C@@]3(CC[C@@](C)([C@H]4CC[C@@](C)([C@@H]5O[C@@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)([C@H](C)C(=O)O)[C@@H]1C

SELFIES: [C][O][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch2][=Branch1][=N][C@H1][Branch1][C][C][C@H1][O][C@@][Branch2][Branch1][=Branch2][C][C][C@@][Branch1][C][C][Branch2][Ring2][N][C@H1][C][C][C@@][Branch1][C][C][Branch2][Ring1][=C][C@@H1][O][C@@H1][Branch2][Ring1][Ring1][C@H1][O][C@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][C][C][C@@H1][Ring1][=Branch2][C][C][C@@H1][Ring1][#C][C][O][Ring2][Ring1][=Branch1][O][Ring2][Ring1][N][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][C][C][O][C@@][Branch1][C][O][Branch1][#Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Branch1][C][C]

InChI: InChI=1S/C41H70O12/c1-20-17-22(3)39(11,45)50-31(20)29-18-21(2)35(48-29)38(10)14-13-30(49-38)37(9)15-16-40(53-37)19-28(42)23(4)32(51-40)24(5)33-25(6)34(47-12)26(7)41(46,52-33)27(8)36(43)44/h20-35,42,45-46H,13-19H2,1-12H3,(H,43,44)/t20-,21-,22+,23+,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34-,35+,37-,38-,39-,40+,41+/m0/s1

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: 5.8