CHEBI:495055 - β-cyclodextrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Formula C42H70O35
Net Charge 0
Average Mass 1134.98420
Monoisotopic Mass 1134.370
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 Waiting for 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