1.0 2016-06-03 11:30:05 UTC 2026-05-14 19:09:35 UTC monensin SmallMolecule Monensin is a chemical compound with the formula C36H62O11. monensin belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 670.88 g/mol, monensin is a heavy molecule. This compound is found in or released from four recorded sources: healthcare, pharmaceuticals & veterinary products (antibiotics), electrical & electronic equipment (gas filled discharge tubes with solid cathode), food, food processing & cookware (preparation of wine or sparkling wine), and household cleaning & consumer products (non electric simulated smoking devices). Recorded exposure routes for monensin include inhalation and oral. Regarding its health effects, monensin is used as a treatment for coccidiosis (PMC6696283). Human Neurotoxin C36H62O11 670.881 670.429212816 (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2S,2'S,3'R,5R,5'S)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3'-methyl-[2,2'-bioxolane]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2S,2'S,3'R,5R,5'S)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3'-methyl-[2,2'-bioxolane]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid 17090-79-8 [H][C@](C)(C(O)=O)[C@@]([H])(OC)[C@@]([H])(C)[C@@]1([H])O[C@@]2(CC[C@@](C)(O2)[C@@]2([H])CC[C@](CC)(O2)[C@@]2([H])O[C@@]([H])(C[C@@]2([H])C)[C@@]2([H])O[C@@](O)(CO)[C@]([H])(C)C[C@]2([H])C)C[C@]([H])(O)[C@@]1([H])C 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 GAOZTHIDHYLHMS-GDMSFIFLSA-N Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Heterocyclic fatty acids Carbonyl compounds Carboxylic acids Dialkyl ethers Hemiacetals Hydrocarbon derivatives Hydroxy fatty acids Ketals Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteropolycyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Hemiacetal Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid Ketal Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Primary alcohol Secondary alcohol Tetrahydrofuran Aliphatic heteropolycyclic compounds Detected and Not Quantified logp 4.82 logp 2.70 ALOGPS logs -5.03 ALOGPS solubility 6.33e-03 g/l ALOGPS logp 4.82 ChemAxon pka_strongest_acidic 4.24 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2S,2'S,3'R,5R,5'S)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3'-methyl-[2,2'-bioxolane]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid ChemAxon average_mass 670.881 ChemAxon mono_mass 670.429212816 ChemAxon smiles [H][C@](C)(C(O)=O)[C@@]([H])(OC)[C@@]([H])(C)[C@@]1([H])O[C@@]2(CC[C@@](C)(O2)[C@@]2([H])CC[C@](CC)(O2)[C@@]2([H])O[C@@]([H])(C[C@@]2([H])C)[C@@]2([H])O[C@@](O)(CO)[C@]([H])(C)C[C@]2([H])C)C[C@]([H])(O)[C@@]1([H])C ChemAxon formula C36H62O11 ChemAxon 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 ChemAxon inchikey GAOZTHIDHYLHMS-GDMSFIFLSA-N ChemAxon polar_surface_area 153.37 ChemAxon refractivity 172.38 ChemAxon polarizability 73.78 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 11 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227e63700> DB11430 441145 389937