CHEBI:61033 - fondaparinux

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ChEBI Name fondaparinux ChEBI ID CHEBI:61033 Definition A synthetic pentasaccharide which, apart from the O-methyl group at the reducing end of the molecule, consists of monomeric sugar units which are identical to a sequence of five monomeric sugar units that can be isolated after either chemical or enzymatic cleavage of the polymeric glycosaminoglycans heparin and heparan sulfate. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:44566 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C31H53N3O49S8 Net Charge 0 Average Mass 1508.26300 Monoisotopic Mass 1506.95133 InChI InChI=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)/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 KANJSNBRCNMZMV-ABRZTLGGSA-N SMILES 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 Roles Classification Application(s): anticoagulant An agent that prevents blood clotting. View more via ChEBI Ontology ChEBI Ontology Outgoing fondaparinux (CHEBI:61033) has functional parent normethylfondaparinux (CHEBI:145599) fondaparinux (CHEBI:61033) has role anticoagulant (CHEBI:50249) fondaparinux (CHEBI:61033) is a amino sugar (CHEBI:28963) fondaparinux (CHEBI:61033) is a oligosaccharide sulfate (CHEBI:37909) fondaparinux (CHEBI:61033) is a pentasaccharide derivative (CHEBI:63566) fondaparinux (CHEBI:61033) is conjugate acid of fondaparinux(10−) (CHEBI:61038) Incoming fondaparinux(10−) (CHEBI:61038) is conjugate base of fondaparinux (CHEBI:61033) IUPAC Name methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranoside Synonyms Sources fondaparin DrugCentral Natural heparin pentasaccharide ChemIDplus Manual Xrefs Databases 1236 DrugCentral Fondaparinux Wikipedia NTO PDBeChem PPR103739 PPR View more database links Registry Numbers Types Sources 104993-28-4 CAS Registry Number ChemIDplus 9381701 Reaxys Registry Number Reaxys Citations Types Sources 29531454 PubMed citation Europe PMC 30169652 PubMed citation Europe PMC 30656269 PubMed citation Europe PMC 31030756 PubMed citation Europe PMC 31251320 PubMed citation Europe PMC 31549765 PubMed citation Europe PMC 31782283 PubMed citation Europe PMC Last Modified 11 December 2019