EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:40585 - α-cyclodextrin

ChEBI IDCHEBI:40585
ChEBI Nameα-cyclodextrin
Stars
ASCII Namealpha-cyclodextrin
DefinitionA cycloamylose composed of six α-(1→4) linked D-glucopyranose units.
Secondary ChEBI IDsCHEBI:23489, CHEBI:33103, CHEBI:40581
Last Modified16 May 2018
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC36H60O30
Net Charge0
Average Mass972.846
Monoisotopic Mass972.31694
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]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
InChIInChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,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-/m1/s1
InChIKeyHFHDHCJBZVLPGP-RWMJIURBSA-N

ChEBI Ontology
IUPAC Name 
cyclomaltohexaose
Synonyms  Source
α-cyclodextrinIUPAC
α-CDChEBI
cyclohexaamyloseNIST Chemistry WebBook
Manual XrefsDatabases
ACXPDBeChem
DB01909DrugBank
Registry NumbersSources
Beilstein:1678944Beilstein
Gmelin:35257Gmelin
Beilstein:79627Beilstein
CAS:10016-20-3ChemIDplus
CAS:10016-20-3NIST Chemistry WebBook