1.0 2016-06-03 11:04:03 UTC 2026-08-22 19:32:10 UTC colistin SmallMolecule colistin belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 1,155 g/mol, colistin is a heavy molecule with the formula C52H98N16O13. This compound acts as a biological antimicrobial agent (PMC13119245, PMC8174002) and functions as a binder of the protein target Dihydropteroate synthase (folP). Colistin is found in several recorded sources, including drinking water and water supply, as well as pharmaceuticals and veterinary products such as antibiotics, antibacterials, and intestinal antiinfectives. Recorded exposure routes for the compound include oral, auricular, and inhalation pathways, with literature supporting inhalation as an exposure route (PMC8533436). Regarding health effects, colistin is used as a treatment for cystic fibrosis (PMC8533436) and pneumonia (PMC5388835). C52H98N16O13 1155.4339 1154.749927302 N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-5-methylheptanamide colistin 1066-17-7 [H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC(C)CC)[C@@H](C)O)[C@@H](C)O InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1 YKQOSKADJPQZHB-QNPLFGSASA-N Organic compounds Organic Polymers Polypeptides Polypeptides Alpha amino acid amides Azacyclic compounds Carbonyl compounds Cyclic peptides Hydrocarbon derivatives Lactams Macrolactams Monoalkylamines N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Cyclic alpha peptide Fatty acyl Fatty amide Hydrocarbon derivative Lactam Macrolactam N-acyl-alpha amino acid or derivatives N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polypeptide Primary aliphatic amine Primary amine Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Detected and Not Quantified Colistin Drug Metabolism Action Pathway SMP0143242 logp -3.3 logp -1.29 ALOGPS logs -3.69 ALOGPS solubility 2.38e-01 g/l ALOGPS logp -8.1 ChemAxon pka_strongest_acidic 11.6 ChemAxon pka_strongest_basic 10.23 ChemAxon iupac N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-5-methylheptanamide ChemAxon average_mass 1155.4339 ChemAxon mono_mass 1154.749927302 ChemAxon smiles [H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCC(C)CC)[C@@H](C)O)[C@@H](C)O ChemAxon formula C52H98N16O13 ChemAxon inchi InChI=1S/C52H98N16O13/c1-9-29(6)11-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-27(2)3)66-50(79)39(26-28(4)5)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t29?,30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1 ChemAxon inchikey YKQOSKADJPQZHB-QNPLFGSASA-N ChemAxon polar_surface_area 490.66 ChemAxon refractivity 297.67 ChemAxon polarizability 125.93 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 18 ChemAxon donor_count 18 ChemAxon physiological_charge 5 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226bc6188> DB00803 5311054 4470591 BE0000803