PRD_900042

gamma-cyclodextrin

PRD_900042 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 5MKA.

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Chemical Component Summary

Namegamma-cyclodextrin
Identifiersn/a
FormulaC48 H80 O40
Molecular Weight1,297.125
TypeSACCHARIDE
Isomeric SMILESC([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C @@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H ]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O
InChIInChI=1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61 )86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53) 76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,2 0-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChIKeyGDSRMADSINPKSL-HSEONFRVSA-N
CompositionPolymer Sequences: GLC-GLC-GLC-GLC-GLC-GLC-GLC-GLC
BIRD classDRUG DELIVERY
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count168
Chiral Atom Count40
Bond Count176
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 5287407
ChEMBL CHEMBL3182126
ChEBI CHEBI:495056
CCDC/CSD DELGAF, DELFOS