CHEBI:40585 - α-cyclodextrin

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ChEBI Name α-cyclodextrin
ChEBI ID CHEBI:40585
ChEBI ASCII Name alpha-cyclodextrin
Definition A cycloamylose composed of six α-(1→4) linked D-glucopyranose units.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40581, CHEBI:23489, CHEBI:33103
Supplier Information
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Formula C36H60O30
Net Charge 0
Average Mass 972.845
Monoisotopic Mass 972.317
InChI InChI=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
InChIKey HFHDHCJBZVLPGP-RWMJIURBSA-N
SMILES [C@H]12O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@H](O[C@@H]6[C@@H]([C@H]([C@H](O[C@@H]7[C@@H]([C@H]([C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2CO)[C@H](O7)CO)O)O)[C@H](O6)CO)O)O)[C@H](O5)CO)O)O)O)O)O)O
ChEBI Ontology
Outgoing α-cyclodextrin (CHEBI:40585) is a cyclodextrin (CHEBI:23456)
IUPAC Name
cyclomaltohexaose
Synonyms Sources
α-CD ChEBI
α-cyclodextrin IUPAC
cyclohexaamylose NIST Chemistry WebBook
Manual Xrefs Databases
ACX PDBeChem
DB01909 DrugBank
View more database links
Registry Numbers Types Sources
10016-20-3 CAS Registry Number NIST Chemistry WebBook
10016-20-3 CAS Registry Number ChemIDplus
1678944 Beilstein Registry Number Beilstein
35257 Gmelin Registry Number Gmelin
79627 Beilstein Registry Number Beilstein
Last Modified
16 May 2018