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CHEBI:51435 - cucurbit[5]uril

ChEBI IDCHEBI:51435
ChEBI Namecucurbit[5]uril
Stars
Last Modified20 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC30H30N20O10
Net Charge0
Average Mass830.700
Monoisotopic Mass830.24538
SMILES[H][C@]12N3CN4C(=O)N5CN6C(=O)N7CN8C(=O)N9CN%10C(=O)N%11CN(C3=O)[C@@]1([H])N1CN3C(=O)N(CN%12C(=O)N(CN%13C(=O)N(CN%14C(=O)N(CN2C1=O)[C@@]4([H])[C@]5%14[H])[C@@]6([H])[C@]7%13[H])[C@@]8([H])[C@]9%12[H])[C@@]%10([H])[C@]%113[H]
InChIInChI=1S/C30H30N20O10/c51-21-31-1-32-12-14-36(22(32)52)4-40-16-18-44(26(40)56)8-48-20-19-47(29(48)59)7-43-17-15-39(25(43)55)3-35(21)13-11(31)33-2-34(12)24(54)38(14)6-42(16)28(58)46(18)10-50(20)30(60)49(19)9-45(17)27(57)41(15)5-37(13)23(33)53/h11-20H,1-10H2/t11-,12+,13+,14-,15-,16+,17+,18-,19-,20+
InChIKeyVKSVEHYLRGITRK-QVQDFVARSA-N
ChEBI Ontology
Outgoing Relation(s)
cucurbit[5]uril (CHEBI:51435) is a cucurbituril (CHEBI:51431)
Incoming Relation(s)
cucurbit[5]uril—cucurbit[10]uril (CHEBI:51441) has part cucurbit[5]uril (CHEBI:51435)
Synonym  Source
CB[5]ChEBI
Registry NumbersSources
Beilstein:9036846Beilstein
Gmelin:2632103Gmelin