PRD_900086

methyl-beta-cyclodextrin

PRD_900086 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2QKH.

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Chemical Component Summary

Namemethyl-beta-cyclodextrin
Identifiersn/a
FormulaC49 H84 O35
Molecular Weight1,233.17
TypeSACCHARIDE
Isomeric SMILESCOC[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)OC)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]6OC)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O [C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OC)CO)CO)CO)CO)CO)CO)OC)O
InChIInChI=1S/C49H84O35/c1-64-14-21-34-28(62)40(68-5)48(77-21)80-32-17(10-52)74-46(38(66-3)26(32)60)79-31-16(9-51)71-43(24(5 8)23(31)57)78-30-15(8-50)72-44(25(59)22(30)56)83-35-19(12-54)73-45(29(63)37(35)65-2)84-36-20(13-55)76-49(42(70-7)41(36)6 9-6)81-33-18(11-53)75-47(82-34)39(67-4)27(33)61/h15-63H,8-14H2,1-7H3/t15-,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-,43-,44-,45-,46-,47-,48-,49-/m1/s1
InChIKeyGWQZGLPMECXEIW-BHDJXRNPSA-N
CompositionPolymer Sequences: ZB1-GLC-GLC-ZB2-ZB3-ZB2-ZB0
BIRD classDRUG DELIVERY
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count168
Chiral Atom Count35
Bond Count175
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 16741247