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Chemistry, part 3

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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 > n-[(3r,4r,5s,6r)-2-[[(2r,3r,4r,5r,6s)-5-acetamido-4-[(3r,4s,5s,6r)-4-[(3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > n-[(3r,4r,5s,6r)-2-[[(2r,3r,4r,5r,6s)-5-acetamido-4-[(3r,4s,5s,6r)-4-[(3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > n-[(3r,4r,5s,6r)-2-[[(2r,3r,4r,5r,6s)-5-acetamido-4-[(3r,4s,5s,6r)-4-[(3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Preferred term

n-[(3r,4r,5s,6r)-2-[[(2r,3r,4r,5r,6s)-5-acetamido-4-[(3r,4s,5s,6r)-4-[(3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C36H61N3O25

inchi

  • InChI=1S/C36H61N3O25/c1-9-20(46)27(53)28(54)35(57-9)64-31-30(63-34-18(38-11(3)44)26(52)22(48)14(6-41)60-34)23(49)15(7-42)61-36(31)62-29-19(39-12(4)45)32(55)58-16(24(29)50)8-56-33-17(37-10(2)43)25(51)21(47)13(5-40)59-33/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/t9-,13+,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

  • IMWBPJUNNKJCHF-CJZBLGKXSA-N

mass

  • 935.880

monoisotopicmass

  • 935.35941

smiles

  • O(C1O[C@@H]([C@H](O)[C@H](OC2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H]1OC3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@H]4[C@@H](O)[C@H](O[C@H](O)[C@@H]4NC(=O)C)COC5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-D-galacto-hexopyranosyl-(1->3)]-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • Fuc(?1-2)[GalNAc(?1-3)]Gal(?1-3)[GlcNAc(?1-6)]a-GalNAc
  • WURCS=2.0/5,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2112h-1x_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-e1_b2-c1_b3-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157493

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