Nigericin

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Systematic / IUPAC Name: (2R)-2-[(2R,3S,6R)-6-{[(2S,4R,5R,7R,9R,10R)-2-{(2S,2'R,3'S,5R,5'R)-5'-[(2S,3S,5R,6R)-6-Hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2,3'-dimethyloctahydro-2,2'-bifuran-5-yl}-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]dec-7-yl]methyl}-3-methyltetrahydro-2H-pyran-2-yl]propanoic acid

ID: Reference3406

Other Names: Helix C;
Helixin C;
Polyetherin A;
Azalomycin m

Formula: C40H68O11

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Nigericin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 57
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/23/2015 9:32:08 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1
InChI Key DANUORFCFTYTSZ-SJSJOXFOSA-N
Canonical SMILES CC1CCC(OC1C(C)C(=O)O)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
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Other Names Helix C;
Helixin C;
Polyetherin A;
Azalomycin m

In Other Databases

KEGG C11609
Wikipedia Nigericin
ChemSpider 10196461
PubChem 34230
ChEBI CHEBI:7569