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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 > carbohydrate derivative > amino sugar > amino octasaccharide > beta-d-galp-(1->4)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-beta-d-glcp-(1->4)-[alpha-d-glcpnac-(1->2)-l-alpha-d-hepp-(1->3)]-l-alpha-d-hepp-(1->5)-kdo
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > amino octasaccharide > beta-d-galp-(1->4)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-beta-d-glcp-(1->4)-[alpha-d-glcpnac-(1->2)-l-alpha-d-hepp-(1->3)]-l-alpha-d-hepp-(1->5)-kdo
... > 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 > octasaccharide derivative > amino octasaccharide > beta-d-galp-(1->4)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-beta-d-glcp-(1->4)-[alpha-d-glcpnac-(1->2)-l-alpha-d-hepp-(1->3)]-l-alpha-d-hepp-(1->5)-kdo
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide derivative > octasaccharide derivative > amino octasaccharide > beta-d-galp-(1->4)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-beta-d-glcp-(1->4)-[alpha-d-glcpnac-(1->2)-l-alpha-d-hepp-(1->3)]-l-alpha-d-hepp-(1->5)-kdo

Preferred term

beta-d-galp-(1->4)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-beta-d-glcp-(1->4)-[alpha-d-glcpnac-(1->2)-l-alpha-d-hepp-(1->3)]-l-alpha-d-hepp-(1->5)-kdo  

Type

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

Broader concept

charge

  • 0

formula

  • C56H94N2O45

inchi

  • InChI=1S/C56H94N2O45/c1-12(67)57-23-28(76)25(73)18(7-62)89-48(23)101-46-32(80)31(79)38(15(70)4-59)94-54(46)100-45-37(85)53(95-39-14(69)3-56(88,55(86)87)103-41(39)17(72)6-61)96-40(16(71)5-60)47(45)102-51-35(83)33(81)43(22(11-66)93-51)98-52-36(84)44(27(75)20(9-64)91-52)99-49-24(58-13(2)68)29(77)42(21(10-65)92-49)97-50-34(82)30(78)26(74)19(8-63)90-50/h14-54,59-66,69-85,88H,3-11H2,1-2H3,(H,57,67)(H,58,68)(H,86,87)/t14-,15+,16+,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+,50+,51+,52+,53+,54-,56?/m1/s1

inchikey

  • ONIWFZPCFJXNLC-IUFBKEAUSA-N

mass

  • 1515.33200

monoisotopicmass

  • 1514.51286

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-(5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranosyl-(1->5)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-L-erythro-hex-2-ulopyranosonic acid
  • 2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-L-glycero-alpha-D-manno-heptopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77314

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