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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > acetamides > alpha-d-galpnac-(1->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glcp
organooxygen compound > carboxamide > acetamides > alpha-d-galpnac-(1->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glcp
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > acetamides > alpha-d-galpnac-(1->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glcp
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > amino oligosaccharide > amino pentasaccharide > alpha-d-galpnac-(1->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glcp

Preferred term

alpha-d-galpnac-(1->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glcp  

Type

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

Broader concept

charge

  • 0

formula

  • C34H58N2O26

has_functional_parent

inchi

  • InChI=1S/C34H58N2O26/c1-8(42)35-15-21(48)17(44)10(3-37)55-31(15)61-28-19(46)13(6-40)58-34(25(28)52)60-27-16(36-9(2)43)32(56-11(4-38)18(27)45)62-29-20(47)12(5-39)57-33(24(29)51)59-26-14(7-41)54-30(53)23(50)22(26)49/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28+,29+,30?,31-,32+,33+,34+/m1/s1

inchikey

  • ZDKGFLQZHPAAIN-UMGYHRMMSA-N

mass

  • 910.826

monoisotopicmass

  • 910.32778

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
  • GalNAc(a1-3)Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)Glc

synonym RELATED

  • 2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
  • N-[(2R,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • WURCS=2.0/4,5,4/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-2-4/a4-b1_b3-c1_c3-d1_d3-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147176

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