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Concept information

Preferred term

9-deoxy-9-acetamido-alpha-n-acetylneuraminyl-(2->6)-beta-d-galactosyl-(1->4)-n-acetyl-beta-d-glucosamine  

Type

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

charge

  • 0

formula

  • C27H45N3O19

has_role

inchi

  • InChI=1S/C27H45N3O19/c1-8(32)28-5-12(36)17(37)23-15(29-9(2)33)11(35)4-27(49-23,26(43)44)45-7-14-18(38)20(40)21(41)25(47-14)48-22-13(6-31)46-24(42)16(19(22)39)30-10(3)34/h11-25,31,35-42H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,27+/m0/s1

inchikey

  • JJBUKMZTIWZKGT-ICTHHDDWSA-N

mass

  • 715.65490

monoisotopicmass

  • 715.26473

smiles

  • [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CNC(C)=O

subset

  • 3_STAR

synonym EXACT

  • 5,9-diacetamido-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65189

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