CHEBI:31632 - fondaparinux sodium

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ChEBI Name fondaparinux sodium ChEBI ID CHEBI:31632 Definition An organic sodium salt, being the decasodium salt of fondaparinux. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C31H45N3Na10O49S8 Net Charge +2 Average Mass 1730.09700 Monoisotopic Mass 1728.78533 InChI InChI=1S/C31H53N3O49S8.10Na/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);;;;;;;;;;/q;10*+1/p-8/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 InChIKey XEKSTYNIJLDDAZ-JASSWCPGSA-F SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([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(O)=O)[C@H](OS([O-])(=O)=O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C(O)=O)[C@H](O)[C@H]1NS([O-])(=O)=O ChEBI Ontology Outgoing fondaparinux sodium (CHEBI:31632) has part fondaparinux(10−) (CHEBI:61038) fondaparinux sodium (CHEBI:31632) is a organic sodium salt (CHEBI:38700) IUPAC Name decasodium 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 Synonym Source Methyl O-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranuronosyl-(1-4)-O-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1-4)-O-2-O-sulfo-alpha-L-idopyranuronosyl-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, decasodium salt ChemIDplus Brand Name Source Arixtra KEGG DRUG Manual Xrefs Databases D01844 KEGG DRUG DB00569 DrugBank View more database links Registry Numbers Types Sources 11096637 Reaxys Registry Number Reaxys 114870-03-0 CAS Registry Number KEGG DRUG Citation Type Source 19636575 PubMed citation Europe PMC Last Modified 31 March 2014