Aureobasidin A (CED0006134)

Record Information
Version1.0
Creation Date2026-03-31 20:47:13 UTC
Update Date2026-08-23 03:11:15 UTC
Accession NumberCHEM057849
Identification
Common NameAureobasidin A
ClassSmall Molecule
Description
Aureobasidin A belongs to the depsipeptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 1,085 g/mol, Aureobasidin A is a heavy molecule with the chemical formula C60H92N8O11. It is classified as an organic acid and derivative. This compound is found in healthcare, pharmaceuticals, and veterinary products as an antibiotic, with recorded exposure routes via inhalation and oral administration. In terms of biological activity, it acts as an inhibitor of the protein target inositol phosphorylceramide synthase (AUR1).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC60H92N8O11
Average Molecular Mass1085.442 g/mol
Monoisotopic Mass1100.689 g/mol
CAS Registry Number127785-64-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(NC1=O)C(C)C)[C@H](C)C(C)C
InChI IdentifierInChI=1S/C60H92N8O11/c1-17-38(9)46-57(75)65(14)47(36(5)6)52(70)61-42(32-35(3)4)55(73)67(16)50(60(11,12)78)59(77)79-49(39(10)18-2)58(76)66(15)48(37(7)8)53(71)62-43(33-40-26-21-19-22-27-40)54(72)64(13)45(34-41-28-23-20-24-29-41)56(74)68-31-25-30-44(68)51(69)63-46/h19-24,26-29,35-39,42-50,78H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t38-,39-,42+,43+,44+,45+,46+,47+,48+,49-,50-/m1/s1
InChI KeyRLMLFADXHJLPSQ-QKCBWMAHSA-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
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 structureAureobasidin-resistance proteinQ9Y745Neosartorya fumigata (Aspergillus fumigatus)Predicted (SEA)0.467095
Inositol phosphorylceramide synthase catalytic subunit AUR1 structureClick to view 3D structureInositol phosphorylceramide synthase catalytic subunit AUR1P36107Saccharomyces cerevisiae S288cPredicted (SEA)0.467095
Inducible T-cell costimulator structureClick to view 3D structureInducible T-cell costimulatorQ9Y6W8HumansPredicted (SEA)15.0249
Endothelin-1 receptor structureClick to view 3D structureEndothelin-1 receptorP25101HumansPredicted (SEA)30.3612
ATP-dependent translocase ABCB1 structureClick to view 3D structureATP-dependent translocase ABCB1P08183HumansPredicted (SEA)20.0072
Click to view 3D structureEndothelin-1 receptorQ29010Sus scrofaPredicted (SEA)11.0546
T-cell surface antigen CD2 structureClick to view 3D structureT-cell surface antigen CD2P06729HumansPredicted (SEA)10.6653
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)24.5225
Nicotinamide N-methyltransferase structureClick to view 3D structureNicotinamide N-methyltransferaseO55239Mus musculusPredicted (SEA)7.86277
Click to view 3D structureMelanocortin receptor 4P56450Mus musculusPredicted (SEA)118.019
Serine protease 1 structureClick to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)57.0635
Click to view 3D structureProprotein convertase subtilisin/kexin type 9Q80W65Mus musculusPredicted (SEA)17.5161
Myeloblastin structureClick to view 3D structureMyeloblastinP24158HumansPredicted (SEA)15.5698
Kallikrein-7 structureClick to view 3D structureKallikrein-7P49862HumansPredicted (SEA)26.7023
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)130.397
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)162.705
Oxytocin receptor structureClick to view 3D structureOxytocin receptorP30559HumansPredicted (SEA)48.1887
Calcium and integrin-binding protein 1 structureClick to view 3D structureCalcium and integrin-binding protein 1Q99828HumansPredicted (SEA)33.1638
Click to view 3D structureHistone deacetylaseQ9GUA8Cryptosporidium parvumPredicted (SEA)5.99439
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)262.585
Vasopressin V2 receptor structureClick to view 3D structureVasopressin V2 receptorQ00788Rattus norvegicusPredicted (SEA)60.6445
Tyrosine-protein kinase transmembrane receptor ROR2 structureClick to view 3D structureTyrosine-protein kinase transmembrane receptor ROR2Q01974HumansPredicted (SEA)30.439
Click to view 3D structureOxytocin receptorP70536Rattus norvegicusPredicted (SEA)41.1044
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)285.862
Click to view 3D structureMelanocortin receptor 3P33033Mus musculusPredicted (SEA)136.548
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available