Biotin-X (CED0012365)

Record Information
Version1.0
Creation Date2026-04-05 12:01:37 UTC
Update Date2026-04-13 22:10:52 UTC
Accession NumberCHEM100920
Identification
Common NameBiotin-X
ClassSmall Molecule
Description
Biotin-X belongs to the biotin and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C16H27N3O4S and an average molecular weight of 357.47 g/mol. Biotin-X is found in or released from two recorded sources, which include gas filled discharge tubes with gaseous cathodes and electrical and electronic equipment specifically discharge tubes with liquid pool cathodes. Regarding its biological activity, there is one recorded protein target for Biotin-X, which is streptavidin.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H27N3O4S
Average Molecular Mass357.470 g/mol
Monoisotopic Mass357.172 g/mol
CAS Registry Number72040-64-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChI IdentifierInChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
InChI KeyCMUGHZFPFWNUQT-HUBLWGQQSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06sl-0917000000-bab1f36d4d106004e58fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01q9-4911000000-ad73371eeaacba35b006Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00si-9300000000-ed6e73629fa56ab2e8ddNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0129000000-32ba092433a81298d185Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06r6-7569000000-a12c0c91fd792ae675b4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9200000000-3c9f3c489a17836862f7Not AvailableView Spectrum
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
2724.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
515Discharge Tubes With Liquid Pool CathodesElectrical & Electronic EquipmentNot Available
522Gas Filled Discharge Tubes With Gaseous CathodesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1P10688Rattus norvegicusPredicted (SEA)0.155698
Click to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1P51178HumansPredicted (SEA)0.155698
GRB10-interacting GYF protein 2 structureClick to view 3D structureGRB10-interacting GYF protein 2Q6Y7W6HumansPredicted (SEA)0.0778492
E3 ubiquitin-protein ligase RNF168 structureClick to view 3D structureE3 ubiquitin-protein ligase RNF168Q8IYW5HumansPredicted (SEA)0.0778492
Click to view 3D structureBiotin--protein ligaseP50747HumansPredicted (SEA)0.233548
Click to view 3D structureCytohesin-3P97696Rattus norvegicusPredicted (SEA)0.155698
NADPH oxidase organizer 1 structureClick to view 3D structureNADPH oxidase organizer 1Q8NFA2HumansPredicted (SEA)0.155698
Streptavidin structureClick to view 3D structureStreptavidinP22629Streptomyces avidiniiPredicted (SEA)0.0778492
Click to view 3D structureLymphocyte antigen 6KQ17RY6HumansPredicted (SEA)0.0778492
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)4.82665
Fanconi anemia group F protein structureClick to view 3D structureFanconi anemia group F proteinQ9NPI8HumansPredicted (SEA)0.622794
Click to view 3D structureBiotin--[acetyl-CoA-carboxylase] ligaseI6YFP0Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)2.25763
Transcription factor MafG structureClick to view 3D structureTranscription factor MafGO15525HumansPredicted (SEA)2.17978
Click to view 3D structureBirA bifunctional proteinP96884Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)Predicted (SEA)1.24559
Insulin-degrading enzyme structureClick to view 3D structureInsulin-degrading enzymeP14735HumansPredicted (SEA)1.01204
Click to view 3D structureBifunctional ligase/repressor BirAA0A0E7NXW5Staphylococcus aureusPredicted (SEA)1.01204
Bifunctional ligase/repressor BirA structureClick to view 3D structureBifunctional ligase/repressor BirAP06709Escherichia coli (strain K12)Predicted (SEA)13.7793
Tumor necrosis factor receptor superfamily member 5 structureClick to view 3D structureTumor necrosis factor receptor superfamily member 5P25942HumansPredicted (SEA)57.297
Click to view 3D structureGlutathione-S-transferaseQ26513Schistosoma japonicumPredicted (SEA)0.0778492
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1302.73
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)634.238
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)787.678
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1391.63
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)31.2175
Prostaglandin E2 receptor EP2 subtype structureClick to view 3D structureProstaglandin E2 receptor EP2 subtypeP43116HumansPredicted (SEA)121.523
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available