CHEBI:90957 - sugammadex(8−)

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ChEBI Name sugammadex(8−)
ChEBI ID CHEBI:90957
ChEBI ASCII Name sugammadex(8-)
Definition A carbohydrate acid derivative anion obtained by global deprotonation of the carboxy groups of sugammadex.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C72H104O48S8
Net Charge -8
Average Mass 1994.099
Monoisotopic Mass 1992.35066
InChI InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/p-8/t25-,26-,27-,28-,29-,30-,31-,32-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
InChIKey WHRODDIHRRDWEW-VTHZAVIASA-F
SMILES O1[C@H](CSCCC(=O)[O-])[C@@H]2[C@H](O)[C@@H](O)[C@H]1O[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]([C@@H]([C@H]9O)O)O2)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC([O-])=O)CSCCC(=O)[O-]
ChEBI Ontology
Outgoing sugammadex(8−) (CHEBI:90957) is a carbohydrate acid derivative anion (CHEBI:63551)
sugammadex(8−) (CHEBI:90957) is conjugate base of sugammadex (CHEBI:90953)
Incoming sugammadex sodium (CHEBI:90952) has part sugammadex(8−) (CHEBI:90957)
sugammadex (CHEBI:90953) is conjugate acid of sugammadex(8−) (CHEBI:90957)
Synonyms Sources
sugammadex octa-anion ChEBI
sugammadex octaanion ChEBI
Last Modified
15 January 2016