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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 > beta-d-glcpnac-(1->3)-[6-deoxy-alpha-l-galp-(1->3)-[beta-d-galp-(1->4)]-beta-d-glcpnac-(1->6)]-d-galnac-ol
organooxygen compound > carboxamide > acetamides > beta-d-glcpnac-(1->3)-[6-deoxy-alpha-l-galp-(1->3)-[beta-d-galp-(1->4)]-beta-d-glcpnac-(1->6)]-d-galnac-ol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > acetamides > beta-d-glcpnac-(1->3)-[6-deoxy-alpha-l-galp-(1->3)-[beta-d-galp-(1->4)]-beta-d-glcpnac-(1->6)]-d-galnac-ol
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > amino oligosaccharide > amino pentasaccharide > beta-d-glcpnac-(1->3)-[6-deoxy-alpha-l-galp-(1->3)-[beta-d-galp-(1->4)]-beta-d-glcpnac-(1->6)]-d-galnac-ol

Preferred term

beta-d-glcpnac-(1->3)-[6-deoxy-alpha-l-galp-(1->3)-[beta-d-galp-(1->4)]-beta-d-glcpnac-(1->6)]-d-galnac-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C36H63N3O25

has_functional_parent

inchi

  • InChI=1S/C36H63N3O25/c1-10-21(48)26(53)28(55)35(58-10)64-32-20(39-13(4)46)33(61-18(8-43)31(32)63-36-29(56)27(54)24(51)17(7-42)60-36)57-9-15(47)22(49)30(14(5-40)37-11(2)44)62-34-19(38-12(3)45)25(52)23(50)16(6-41)59-34/h10,14-36,40-43,47-56H,5-9H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t10-,14-,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-/m0/s1

inchikey

  • DTTWWJOYBBGPPH-AACOTHIWSA-N

mass

  • 937.896

monoisotopicmass

  • 937.37506

smiles

  • O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)[C@@H]1OC[C@@H](O)[C@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@@H](NC(=O)C)CO)CO

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galactitol

synonym RELATED

  • N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-2-3-4/a3-b1_a6-c1_c3-d1_c4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147274

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