Linaclotide (CED0007114)

Record Information
Version1.0
Creation Date2026-04-04 18:12:16 UTC
Update Date2026-05-14 19:00:27 UTC
Accession NumberCHEM077370
Identification
Common NameLinaclotide
ClassSmall Molecule
Description
Linaclotide is a compound with the chemical formula C59H79N15O21S6. Linaclotide belongs to the polypeptides, a class of organic polymers within the organic compounds. With an average molecular weight of 1,527 g/mol, Linaclotide is a heavy molecule. In terms of its pharmacological activity, the compound acts as an agonist of the protein target Guanylyl cyclase C (GUCY2C). Regarding its practical applications and occurrence, Linaclotide is found in or released from five recorded sources. These sources include electrical and electronic equipment, specifically amplifiers, antennas, coils, and line transmission systems, as well as healthcare, pharmaceuticals, and veterinary products where it is utilized as a drug for constipation. The recorded route of exposure for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC59H79N15O21S6
Average Molecular Mass1526.730 g/mol
Monoisotopic Mass1525.390 g/mol
CAS Registry Number851199-59-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESC[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2
InChI IdentifierInChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)
InChI KeyKXGCNMMJRFDFNR-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
253Drugs for constipationHealthcare, pharmaceuticals & veterinary productsNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
Pathways
1 pathway
Linaclotide Drug Metabolism Action Pathway
Linaclotide Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Coagulation factor XI structureClick to view 3D structureCoagulation factor XIP03951HumansPredicted (SEA)18.8395
EH domain-containing protein 1 structureClick to view 3D structureEH domain-containing protein 1Q9H4M9HumansPredicted (SEA)0.311397
Growth factor receptor-bound protein 7 structureClick to view 3D structureGrowth factor receptor-bound protein 7Q14451HumansPredicted (SEA)1.08989
Sodium channel protein type 9 subunit alpha structureClick to view 3D structureSodium channel protein type 9 subunit alphaQ15858HumansPredicted (SEA)50.2906
Epidermal growth factor receptor substrate 15 structureClick to view 3D structureEpidermal growth factor receptor substrate 15P42566HumansPredicted (SEA)7.70707
Click to view 3D structureAlpha-amylaseP56634Tenebrio molitorPredicted (SEA)2.33548
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)2.25763
Kallikrein-7 structureClick to view 3D structureKallikrein-7P49862HumansPredicted (SEA)3.11397
Myeloblastin structureClick to view 3D structureMyeloblastinP24158HumansPredicted (SEA)1.01204
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)20.2408
Click to view 3D structureEndothelin-1 receptorP21450Bos taurusPredicted (SEA)0.233548
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)14.48
Click to view 3D structureKallikrein-14Q9P0G3HumansPredicted (SEA)6.38364
Kallikrein-5 structureClick to view 3D structureKallikrein-5Q9Y337HumansPredicted (SEA)5.83869
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)17.7496
Click to view 3D structureEnvelope glycoprotein gp160P19550Human immunodeficiency virus type 1 group M subtype B (isolate SF162)(HIV-1)Predicted (SEA)5.0602
Suppressor of tumorigenicity 14 protein structureClick to view 3D structureSuppressor of tumorigenicity 14 proteinQ9Y5Y6HumansPredicted (SEA)10.5875
Lymphocyte activation gene 3 protein structureClick to view 3D structureLymphocyte activation gene 3 proteinP18627HumansPredicted (SEA)1.01204
Click to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)11.6774
Coagulation factor XII structureClick to view 3D structureCoagulation factor XIIP00748HumansPredicted (SEA)7.55137
Inducible T-cell costimulator structureClick to view 3D structureInducible T-cell costimulatorQ9Y6W8HumansPredicted (SEA)7.39568
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)6.85073
Gamma-aminobutyric acid receptor subunit beta-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-1P18505HumansPredicted (SEA)1.01204
Interleukin-11 structureClick to view 3D structureInterleukin-11P20809HumansPredicted (SEA)12.378
Click to view 3D structureEndothelin receptor type BP28088Bos taurusPredicted (SEA)4.67095
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available