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Concept information

Preferred term

HepMer_dp04_0003  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C24H38N2O35S5

inchi

  • InChI=1S/C24H38N2O35S5/c27-4-1-5(19(32)33)55-24(14(4)61-66(49,50)51)58-16-7(3-53-65(46,47)48)56-22(9(11(16)29)26-63(40,41)42)59-17-12(30)13(31)23(60-18(17)20(34)35)57-15-6(2-52-64(43,44)45)54-21(36)8(10(15)28)25-62(37,38)39/h1,4,6-18,21-31,36H,2-3H2,(H,32,33)(H,34,35)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t4-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18+,21-,22+,23+,24-/m0/s1

inchikey

  • QTSOBXZFMHJWGX-UQSIALEXSA-N

mass

  • 1074.882

monoisotopicmass

  • 1073.98587

smiles

  • [C@H]1([C@H]([C@H](O)[C@H]([C@@H](O[C@H]2[C@H](O)[C@H]([C@@H](O[C@H]2C(O)=O)O[C@@H]3[C@H](O[C@H](O)[C@@H]([C@H]3O)NS(O)(=O)=O)COS(O)(=O)=O)O)O1)NS(O)(=O)=O)O[C@@H]4OC(C(O)=O)=C[C@H](O)[C@H]4OS(O)(=O)=O)COS(O)(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-alpha-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91149

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