CHEBI:31632 - fondaparinux sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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Formula C31H45N3Na10O49S8
Net Charge +2
Average Mass 1730.09700
Monoisotopic Mass 1728.786
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
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Registry Numbers Types Sources
11096637 Reaxys Registry Number Reaxys
114870-03-0 CAS Registry Number KEGG DRUG
Citation Waiting for Citations Type Source
19636575 PubMed citation Europe PMC
Last Modified
31 March 2014