Tuberactinomycin O (CED0036457)

Record Information
Version1.0
Creation Date2026-03-31 21:14:28 UTC
Update Date2026-08-31 04:42:53 UTC
Accession NumberCHEM057982
Identification
Common NameTuberactinomycin O
ClassSmall Molecule
Description
Tuberactinomycin O belongs to the hybrid peptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 669.70 g/mol, Tuberactinomycin O is a heavy molecule. It has the chemical formula C25H43N13O9 and is classified under the superclass of organic acids and derivatives. This compound is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (Antibiotics). Recorded exposure routes for Tuberactinomycin O include inhalation and oral administration.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC25H43N13O9
Average Molecular MassNot Available
Monoisotopic Mass669.331 g/mol
CAS Registry Number33137-73-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N)N
InChI IdentifierInChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8-/t11-,12+,13-,15-,16-,18-/m0/s1
InChI KeyIJLXXTHFOUHWGE-XGRXGJMSSA-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 Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3067.0Log mg/kg[1700:5500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePhospho-N-acetylmuramoyl-pentapeptide-transferaseQ03521Bacillus subtilis (strain 168)Predicted (SEA)161.226
N-terminal Xaa-Pro-Lys N-methyltransferase 2 structureClick to view 3D structureN-terminal Xaa-Pro-Lys N-methyltransferase 2Q5VVY1HumansPredicted (SEA)530.309
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)6527.81
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)7323.59
Click to view 3D structurePhospho-N-acetylmuramoyl-pentapeptide-transferaseP9WMW7Mycobacterium tuberculosisPredicted (SEA)178.197
Click to view 3D structureRYamide receptorP25931Drosophila melanogasterPredicted (SEA)35.5771
Serine protease 1 structureClick to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)4723.89
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)6766.27
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)7290.58
Carboxypeptidase B2 structureClick to view 3D structureCarboxypeptidase B2Q96IY4HumansPredicted (SEA)1455.62
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)6184.19
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)6224.82
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)6023.51
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)5855.2
Coagulation factor XI structureClick to view 3D structureCoagulation factor XIP03951HumansPredicted (SEA)6405.59
Major capsid protein L1 structureClick to view 3D structureMajor capsid protein L1P03101Human papillomavirus 16Predicted (SEA)701.499
Phospho-N-acetylmuramoyl-pentapeptide-transferase structureClick to view 3D structurePhospho-N-acetylmuramoyl-pentapeptide-transferaseO66465Aquifex aeolicus (strain VF5)Predicted (SEA)106.576
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)5429.98
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)7703.1
Somatostatin receptor type 2 structureClick to view 3D structureSomatostatin receptor type 2P30874HumansPredicted (SEA)5935.77
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)7692.83
Alpha-cobratoxin structureClick to view 3D structureAlpha-cobratoxinP01391Naja kaouthiaPredicted (SEA)510.068
Click to view 3D structureCCN family member 2P29279HumansPredicted (SEA)656.113
T-cell surface antigen CD2 structureClick to view 3D structureT-cell surface antigen CD2P06729HumansPredicted (SEA)489.204
Click to view 3D structureProprotein convertase subtilisin/kexin type 4Q6UW60HumansPredicted (SEA)357.873
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available