Buckyballs (Fullerene C-60) (CED0006929)

Record Information
Version1.0
Creation Date2016-06-03 11:31:12 UTC
Update Date2026-04-17 19:51:26 UTC
Accession NumberCHEM043986
Identification
Common NameBuckyballs (Fullerene C-60)
ClassSmall Molecule
Description
Buckyballs (Fullerene C-60) belongs to the triphenylenes, a subclass of phenanthrenes and derivatives within the organic compounds. With an average molecular weight of 720.66 g/mol, Buckyballs (Fullerene C-60) is a heavy molecule. This compound, with the formula C60, serves various industrial and biological roles. Its industrial applications include use as a biocide, a softener and conditioner, and a filler (PMC11205482). Biologically, it functions as an antioxidant (PMC12532300). Additionally, it is used as a treatment for COVID-19 (PMC8406542). Buckyballs (Fullerene C-60) is associated with 38 recorded sources. Within electrical and electronic equipment, it is found in amplifiers, antennas, coils, auxiliary devices, adjustable resistors, and 20 other items. In building and construction, it is present in ceilings, floors, roofs, fencing, stairs and ramps, and 3 additional sources. It is also found in food, food processing and cookware, specifically in processing meats. Furthermore, it is identified in household cleaning and consumer products, including tobacco pipes, pipe accessories, other smoking requisites, and non electric simulated smoking devices.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
[5,6]Fullerene-C60-ihChEBI
[60-Ih]fullereneChEBI
[60]FullereneChEBI
BuckminsterfulerenoChEBI
BuckminsterfullerenChEBI
BuckminsterfullereneChEBI
BuckyballChEBI
FootballeneChEBI
Fullerene 60ChEBI
Fullerene C60ChEBI
SoccerballeneChEBI
C60 CompoundMeSH
Chemical FormulaC60
Average Molecular Mass720.660 g/mol
Monoisotopic Mass720.000 g/mol
CAS Registry Number99685-96-8
IUPAC Namehentriacontacyclo[10.10.37.1^{3,7}.0^{2,16}.0^{4,23}.0^{5,29}.0^{6,31}.0^{8,13}.0^{9,32}.0^{10,34}.0^{11,50}.0^{15,58}.0^{17,57}.0^{18,22}.0^{19,55}.0^{20,44}.0^{21,25}.0^{24,28}.0^{26,43}.0^{27,40}.0^{30,39}.0^{33,38}.0^{35,49}.0^{36,47}.0^{37,41}.0^{42,46}.0^{45,54}.0^{48,53}.0^{51,59}.0^{52,56}.0^{14,60}]hexaconta-1(22),2(16),3,5(29),6,8(13),9,11(50),12(59),14(60),15(58),17(57),18,20,23,25,27,30(39),31,33,35,37,40,42,44,46,48,51,53,55-triacontaene
Traditional Namehentriacontacyclo[10.10.37.1^{3,7}.0^{2,16}.0^{4,23}.0^{5,29}.0^{6,31}.0^{8,13}.0^{9,32}.0^{10,34}.0^{11,50}.0^{15,58}.0^{17,57}.0^{18,22}.0^{19,55}.0^{20,44}.0^{21,25}.0^{24,28}.0^{26,43}.0^{27,40}.0^{30,39}.0^{33,38}.0^{35,49}.0^{36,47}.0^{37,41}.0^{42,46}.0^{45,54}.0^{48,53}.0^{51,59}.0^{52,56}.0^{14,60}]hexaconta-1(22),2(16),3,5(29),6,8(13),9,11(50),12(59),14(60),15(58),17(57),18,20,23,25,27,30(39),31,33,35,37,40,42,44,46,48,51,53,55-triacontaene
SMILESC12=C3C4=C5C6=C7C3=C3C8=C1C1=C9C8=C8C%10=C%11C%12=C8C8=C9C9=C%13C1=C1C2=C4C2=C4C1=C%13C1=C%13C4=C4C2=C5C2=C6C5=C(C7=C3%10)C%11=C3C5=C5C2=C4C2=C%13C4=C1C9=C8C1=C4C(C3=C%121)=C52
InChI IdentifierInChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
InChI KeyXMWRBQBLMFGWIX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triphenylenes. Triphenylenes are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenanthrenes and derivatives
Sub ClassTriphenylenes
Direct ParentTriphenylenes
Alternative Parents
Substituents
  • Triphenylene
  • Chrysene
  • Naphthalene
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP9.95ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity232.93 m³·mol⁻¹ChemAxon
Polarizability57.56 ųChemAxon
Number of Rings31ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000900-6ca58b97aeb6a1f4b961Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000900-6ca58b97aeb6a1f4b961Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000900-6ca58b97aeb6a1f4b961Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000900-b18fa5b7d659032e3776Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000900-b18fa5b7d659032e3776Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000900-b18fa5b7d659032e3776Not AvailableView Spectrum
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
COVID-19is_treatment_forNot AvailablePMC8406542
Exposure Sources
Source IDSourceSectorReference
495CeilingsBuilding & ConstructionNot Available
496FencingBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
499RoofsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
501Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
502Sunshades Awnings Or Outside ScreensBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
512ContactsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
526LoudspeakersElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
532SelectorsElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
540X Ray TubesElectrical & Electronic EquipmentNot Available
552Processing MeatsFood, food processing & cookwareNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
584BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureGlutathione reductaseP41921Saccharomyces cerevisiae S288cPredicted (SEA)585.738
Click to view 3D structureUDP-glucose 6-dehydrogenaseO70199Rattus norvegicusPredicted (SEA)41.0265
UDP-glucose 6-dehydrogenase structureClick to view 3D structureUDP-glucose 6-dehydrogenaseP0C0F4Streptococcus pyogenesPredicted (SEA)41.0265
Click to view 3D structureNAD-dependent histone deacetylase SIR2P06700Saccharomyces cerevisiae S288cPredicted (SEA)2086.51
Glutathione S-transferase structureClick to view 3D structureGlutathione S-transferaseQ8ILQ7Plasmodium falciparumPredicted (SEA)201.863
Click to view 3D structureThioredoxin reductase 2, mitochondrialQ9Z0J5Rattus norvegicusPredicted (SEA)2016.37
Click to view 3D structureL-lactate dehydrogenase B chainP16125Mus musculusPredicted (SEA)2423.45
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7784.53
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7784.22
Cysteine protease ATG4B structureClick to view 3D structureCysteine protease ATG4BQ9Y4P1HumansPredicted (SEA)7776.51
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)7780.17
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)7783.13
Translin-associated protein X structureClick to view 3D structureTranslin-associated protein XQ99598HumansPredicted (SEA)2197.68
Click to view 3D structureTyrosine-protein kinase LynQ07014Rattus norvegicusPredicted (SEA)2197.68
Click to view 3D structureTyrosine-protein kinase FgrQ6P6U0Rattus norvegicusPredicted (SEA)2197.68
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7783.91
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)7784.07
Click to view 3D structureLignostilbene alpha, beta-dioxygenaseO87171Sphingomonas paucimobilisPredicted (SEA)4043.25
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)7784.84
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)7784.46
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7784.61
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)7784.46
Click to view 3D structureL,D-transpeptidase 2I6Y9J2Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)5168.88
Sulfhydryl oxidase 1 structureClick to view 3D structureSulfhydryl oxidase 1O00391HumansPredicted (SEA)5168.88
YTH domain-containing family protein 1 structureClick to view 3D structureYTH domain-containing family protein 1Q9BYJ9HumansPredicted (SEA)5168.88
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkBuckminsterfullerene
Chemspider IDNot Available
ChEBI ID33128
PubChem Compound ID123591
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=25118710