Monensin

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Systematic / IUPAC Name: (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-2-Ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoic acid

ID: Reference1514

Other Names: Monensic acid;
Elancoban

Formula: C36H62O11

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Orbitrap Fusion Lumos; Q Exactive HF Orbitrap; Q Exactive Orbitrap
No. of Spectral Trees 8
No. of Spectra 5653
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 3/25/2015 12:53:34 PM
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Identificators

InChI InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1
InChI Key GAOZTHIDHYLHMS-KEOBGNEYSA-N
Canonical SMILES CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C
CAS 17090798
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Other Names Monensic acid;
Elancoban

In Other Databases

ChEBI CHEBI:27617
ChemSpider 389937
ChEMBL CHEMBL256105
PubChem 441145
KEGG C06693; D08228
Wikipedia Monensin