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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide derivative > amino oligosaccharide > amino heptasaccharide > beta-d-galpnac-(1->4)-beta-d-glcpnac-(1->2)-alpha-d-manp-(1->3)-[beta-d-xylp-(1->2)]-beta-d-manp-(1->4)-beta-d-glcpnac-(1->4)-beta-d-glcpnac

Preferred term

beta-d-galpnac-(1->4)-beta-d-glcpnac-(1->2)-alpha-d-manp-(1->3)-[beta-d-xylp-(1->2)]-beta-d-manp-(1->4)-beta-d-glcpnac-(1->4)-beta-d-glcpnac  

Type

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

charge

  • 0

formula

  • C49H82N4O35

inchi

  • InChI=1S/C49H82N4O35/c1-12(60)50-23-32(70)37(20(8-57)77-43(23)75)83-45-25(52-14(3)62)34(72)39(22(10-59)81-45)85-49-42(88-47-36(74)27(65)16(64)11-76-47)40(30(68)19(7-56)80-49)86-48-41(35(73)29(67)18(6-55)79-48)87-46-26(53-15(4)63)33(71)38(21(9-58)82-46)84-44-24(51-13(2)61)31(69)28(66)17(5-54)78-44/h16-49,54-59,64-75H,5-11H2,1-4H3,(H,50,60)(H,51,61)(H,52,62)(H,53,63)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+,46+,47+,48-,49+/m1/s1

inchikey

  • SHZBMQOVOABKEO-YUQGNOLHSA-N

mass

  • 1287.188

monoisotopicmass

  • 1286.47596

smiles

  • CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192280

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