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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > alditol > glycosyl alditol > beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glc-oh
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > alditol > glycosyl alditol > beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glc-oh
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > alditol > glycosyl alditol > beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glc-oh

Preferred term

beta-d-glcpnac-(1->3)-beta-d-galp-(1->4)-d-glc-oh  

Type

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

Broader concept

charge

  • 0

formula

  • C20H37NO16

has_functional_parent

inchi

  • InChI=1S/C20H37NO16/c1-6(26)21-11-15(32)13(30)9(4-24)34-19(11)37-18-14(31)10(5-25)35-20(16(18)33)36-17(8(28)3-23)12(29)7(27)2-22/h7-20,22-25,27-33H,2-5H2,1H3,(H,21,26)/t7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-/m0/s1

inchikey

  • WBIBEDOULPBKIX-SPVZFZGWSA-N

mass

  • 547.507

monoisotopicmass

  • 547.21123

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucitol

synonym RELATED

  • beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-glucitol
  • N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • WURCS=2.0/3,3,2/[h2122h][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147919

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