CHEBI:495055 - β-cyclodextrin

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ChEBI Name β-cyclodextrin ChEBI ID CHEBI:495055 ChEBI ASCII Name beta-cyclodextrin Definition A cyclodextrin composed of seven α-(1→4) linked D-glucopyranose units. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:40949, CHEBI:655598 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C42H70O35 Net Charge 0 Average Mass 1134.98420 Monoisotopic Mass 1134.36976 InChI InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 InChIKey WHGYBXFWUBPSRW-FOUAGVGXSA-N SMILES OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O ChEBI Ontology Outgoing β-cyclodextrin (CHEBI:495055) is a cyclodextrin (CHEBI:23456) Incoming methyl β-cyclodextrin (CHEBI:133151) has functional parent β-cyclodextrin (CHEBI:495055) IUPAC Name cyclomaltoheptaose Synonyms Sources β-CD ChEBI β-cycloamylose ChemIDplus beta-cyclodextrin ChEMBL betadex ChemIDplus cycloheptaamylose ChemIDplus cycloheptaglucan ChemIDplus cycloheptaglucosan ChemIDplus Manual Xrefs Databases 2971 DrugCentral C13183 KEGG COMPOUND CPD-3781 MetaCyc D02401 KEGG DRUG View more database links Registry Numbers Types Sources 7585-39-9 CAS Registry Number KEGG COMPOUND 7585-39-9 CAS Registry Number ChemIDplus 7585-39-9 CAS Registry Number NIST Chemistry WebBook 78623 Beilstein Registry Number Beilstein 78623 Reaxys Registry Number Reaxys Citations Types Sources 16303630 PubMed citation Europe PMC 17048043 PubMed citation Europe PMC 17234420 PubMed citation ChEMBL 18032056 PubMed citation ChEMBL 19616959 PubMed citation ChEMBL Last Modified 22 February 2017