Epinigericin

PubChem Notes:

Nigericin A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. (From Merck Index, 11th ed)

Molecular Formula: C41H70O10


InChI: InChI=1/C41H70O10/c1-22-12-13-30(46-35(22)27(6)29(8)43)18-31-19-32(45-11)28(7)41(48-31)26(5)20-39(10,51-41)34-14-15-38(9,49-34)37-24(3)17-33(47-37)36-23(2)16-25(4)40(44,21-42)50-36/h22-28,30-37,42,44H,12-21H2,1-11H3/t22-,23-,24-,25-,26+,27-,28+,30+,31+,32+,33+,34+,35+,36-,37+,38-,39-,40-,41?/m0/s1

InChIKey: InChIKey=MLKLDZRMDWHDHH-BSKDZVIVBD
SMILES: CC1CCC(OC1C(C)C(=O)C)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC

Names:
    Epinigericin
    Nigericin, (28S)-
    (3R)-3-[(2R,3S,6R)-6-[[(2S,4R,7S,9R,10R)-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5S,6S)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl]-3-methyl-oxan-2-yl]butan-2-one
    108266-17-7

Registries:
    PubChem CID 73280
    PubChem ID 215520