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Concept information

... > organooxygen compound > ester > sulfuric ester > carbohydrate sulfate > oligosaccharide sulfate > alpha-neup5ac-(2->6)-beta-d-galpnac-(1->4)-beta-d-glcpnac6s

Preferred term

alpha-neup5ac-(2->6)-beta-d-galpnac-(1->4)-beta-d-glcpnac6s  

Type

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

charge

  • 0

formula

  • C27H45N3O22S

inchi

  • InChI=1S/C27H45N3O22S/c1-8(32)28-15-11(35)4-27(26(42)43,52-23(15)18(37)12(36)5-31)47-6-13-19(38)20(39)17(30-10(3)34)25(50-13)51-22-14(7-48-53(44,45)46)49-24(41)16(21(22)40)29-9(2)33/h11-25,31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)(H,42,43)(H,44,45,46)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25-,27+/m0/s1

inchikey

  • STNDFARMQMKBGA-HWDXGXKHSA-N

mass

  • 795.720

monoisotopicmass

  • 795.22154

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]2COS(O)(=O)=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO

subset

  • 3_STAR

synonym EXACT

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167711

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