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CHEBI:495055 - β-cyclodextrin

ChEBI IDCHEBI:495055
ChEBI Nameβ-cyclodextrin
Stars
ASCII Namebeta-cyclodextrin
DefinitionA cyclodextrin composed of seven α-(1→4) linked D-glucopyranose units.
Secondary ChEBI IDsCHEBI:40949, CHEBI:655598
Last Modified22 February 2017
DownloadsMolfile
FormulaC42H70O35
Net Charge0
Average Mass1134.987
Monoisotopic Mass1134.36976
SMILESOC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
InChIInChI=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
InChIKeyWHGYBXFWUBPSRW-FOUAGVGXSA-N
ChEBI Ontology
Outgoing Relation(s)
β-cyclodextrin (CHEBI:495055) is a cyclodextrin (CHEBI:23456)
Incoming Relation(s)
methyl β-cyclodextrin (CHEBI:133151) has functional parent β-cyclodextrin (CHEBI:495055)
IUPAC Name 
cyclomaltoheptaose
Synonyms  Source
beta-cyclodextrinChEMBL
cycloheptaglucosanChemIDplus
betadexChemIDplus
cycloheptaamyloseChemIDplus
β-cycloamyloseChemIDplus
cycloheptaglucanChemIDplus
Manual XrefsDatabases
CPD-3781MetaCyc
C13183KEGG COMPOUND
D02401KEGG DRUG
2971DrugCentral
Registry NumbersSources
Reaxys:78623Reaxys
CAS:7585-39-9ChemIDplus
CAS:7585-39-9NIST Chemistry WebBook
CAS:7585-39-9KEGG COMPOUND
Citations