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CHEBI:145599 - normethylfondaparinux

ChEBI IDCHEBI:145599
ChEBI Namenormethylfondaparinux
Stars
DefinitionA heparin pentasaccharide resulting from the hydrolysis of the O-methyl group of fondaparinux.
Last Modified14 January 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H51N3O49S8
Net Charge0
Average Mass1494.246
Monoisotopic Mass1492.93568
SMILESO=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]4COS(=O)(=O)O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
WURCSWURCS=2.0/4,5,4/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O_3*OSO/3=O/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5]/1-2-3-4-1/a4-b1_b4-c1_c4-d1_d4-e1
InChIInChI=1S/C30H51N3O49S8/c34-10-4(1-69-86(54,55)56)73-27(8(11(10)35)32-84(48,49)50)77-19-13(37)14(38)29(79-22(19)24(40)41)76-17-6(3-71-88(60,61)62)74-28(9(33-85(51,52)53)18(17)81-89(63,64)65)78-20-15(39)21(82-90(66,67)68)30(80-23(20)25(42)43)75-16-5(2-70-87(57,58)59)72-26(44)7(12(16)36)31-83(45,46)47/h4-23,26-39,44H,1-3H2,(H,40,41)(H,42,43)(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)/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15+,16-,17-,18-,19+,20+,21-,22+,23-,26+,27-,28-,29-,30-/m1/s1
InChIKeyQORVASNHDCXGRB-VTDSAVNTSA-N
Roles Classification
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
normethylfondaparinux (CHEBI:145599) has role anticoagulant (CHEBI:50249)
normethylfondaparinux (CHEBI:145599) is a amino pentasaccharide (CHEBI:59268)
normethylfondaparinux (CHEBI:145599) is a heparin pentasaccharide (CHEBI:139212)
normethylfondaparinux (CHEBI:145599) is a oligosaccharide sulfate (CHEBI:37909)
Incoming Relation(s)
fondaparinux (CHEBI:61033) has functional parent normethylfondaparinux (CHEBI:145599)
IUPAC Name 
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-glucopyranose
Synonym  Source
GlcNS6S(a1-4)GlcA(b1-4)GlcNS3S6S(a1-4)IdoA2S(a1-4)a-GlcNS6SIUPAC
Manual XrefsDatabases
G27775IZGlyTouCan
G27775IZGlyGen