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CHEBI:61038 - fondaparinux(10−)

ChEBI IDCHEBI:61038
ChEBI Namefondaparinux(10−)
Stars
ASCII Namefondaparinux(10-)
DefinitionThe carbohydrate acid derivative anion formed by loss of 10 protons from the carboxy and sulfoamino groups of fondaparinux.
Last Modified11 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H43N3O49S8
Net Charge-10
Average Mass1498.193
Monoisotopic Mass1496.87857
SMILESCO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-]
InChIInChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1
InChIKeyKANJSNBRCNMZMV-ABRZTLGGSA-D
ChEBI Ontology
Outgoing Relation(s)
fondaparinux(10−) (CHEBI:61038) is a carbohydrate acid derivative anion (CHEBI:63551)
fondaparinux(10−) (CHEBI:61038) is a monocarboxylic acid anion (CHEBI:35757)
fondaparinux(10−) (CHEBI:61038) is a organosulfate oxoanion (CHEBI:58958)
fondaparinux(10−) (CHEBI:61038) is conjugate base of fondaparinux (CHEBI:61033)
Incoming Relation(s)
fondaparinux sodium (CHEBI:31632) has part fondaparinux(10−) (CHEBI:61038)
fondaparinux (CHEBI:61033) is conjugate acid of fondaparinux(10−) (CHEBI:61038)
IUPAC Name 
methyl 2,6-di-O-sulfonato-α-D-glucopyranosyl-(1→4)-β-D-glucopyranosyluronate-(1→4)-2,3,6-tri-O-sulfonato-α-D-glucopyranosyl-(1→4)-2-O-sulfonato-α-L-idopyranosyluronate-(1→4)-2,6-di-O-sulfonato-α-D-glucopyranoside