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- ChemComp-60C: (C_{60}-I_{h})[5,6]fullerene -

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Basic information

EntryDatabase: PDB chemical components / ID: 60C
NameName: (C_{60}-I_{h})[5,6]fullerene / Synonyms: buckminsterfullerene, buckyball

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Chemical information

Composition
Formula: C60 / Number of atoms: 60 / Formula weight: 720.642 / Formal charge: 0
Others

5et3

Type: NON-POLYMER / PDB classification: HETAIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ET3
History
Create componentNov 18, 2015
Initial releaseMay 4, 2016
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / HMDB / PubChem / SureChEMBL / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385c12c3C4=C5c1c6c7c8c2c9c%10c3C%11=C%12c%10c%13c%14c9c8c%15c%16c7C%17=C6C%18=C5c%19c%20C4=C%11c%21c%20c%22c%23c%19c%18c%24C%17=C%25C%16=C%26c%15c%14C%27=C%13C%28=C%12c%21c%29c%22c%30c%23c%24c%25c%31C%26=C%27c(c%28%29)c%30%31
OpenEye OEToolkits 2.0.4c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23

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SMILES CANONICAL

CACTVS 3.385c12c3C4=C5c1c6c7c8c2c9c%10c3C%11=C%12c%10c%13c%14c9c8c%15c%16c7C%17=C6C%18=C5c%19c%20C4=C%11c%21c%20c%22c%23c%19c%18c%24C%17=C%25C%16=C%26c%15c%14C%27=C%13C%28=C%12c%21c%29c%22c%30c%23c%24c%25c%31C%26=C%27c(c%28%29)c%30%31
OpenEye OEToolkits 2.0.4c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03XMWRBQBLMFGWIX-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-21lo:
Crystal structure of Horse spleen L-ferritin mutant (L24G/S27G/E56F/R59G/E60F/E63F) with unsubstituted C60 Fullerene

PDB-5et3:
Crystal Structure of De novo Designed Fullerene organizing peptide

PDB-5hkn:
Crystal structure de novo designed fullerene organizing protein complex with fullerene

PDB-5hkr:
Crystal structure of de novo designed fullerene organising protein complex with fullerene

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