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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 > carbohydrate derivative > amino sugar > n-[(3r,4r,5s,6r)-2-[[(2r,3r,4r,5r)-5-acetamido-4-[(3r,4s,5r,6r)-4,5-dihydroxy-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]-5-[(3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-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 > carbohydrate derivative > amino sugar > n-[(3r,4r,5s,6r)-2-[[(2r,3r,4r,5r)-5-acetamido-4-[(3r,4s,5r,6r)-4,5-dihydroxy-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]-5-[(3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-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 > carbohydrate derivative > amino sugar > n-[(3r,4r,5s,6r)-2-[[(2r,3r,4r,5r)-5-acetamido-4-[(3r,4s,5r,6r)-4,5-dihydroxy-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]-5-[(3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C40H68N2O29

inchi

  • InChI=1S/C40H68N2O29/c1-9-19(48)25(54)29(58)37(62-9)70-33-27(56)21(50)13(5-43)65-39(33)68-31-15(7-45)67-36(17(24(31)53)41-11(3)46)61-8-16-23(52)32(18(35(60)64-16)42-12(4)47)69-40-34(28(57)22(51)14(6-44)66-40)71-38-30(59)26(55)20(49)10(2)63-38/h9-10,13-40,43-45,48-60H,5-8H2,1-4H3,(H,41,46)(H,42,47)/t9-,10-,13+,14+,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?/m0/s1

inchikey

  • BRCUEIMZWKUYAB-DHNHLPPDSA-N

mass

  • 1040.969

monoisotopicmass

  • 1040.39077

smiles

  • O([C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1NC(=O)C)COC2O[C@@H]([C@@H](OC3O[C@@H]([C@H](O)[C@H](O)[C@H]3OC4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO)[C@H](O)[C@H]2NC(=O)C)CO)C5O[C@@H]([C@H](O)[C@H](O)[C@H]5OC6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Fuc(?1-2)Gal(?1-4)GlcNAc(?1-6)[Fuc(?1-2)Gal(?1-3)]GalNAc
  • WURCS=2.0/4,6,5/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5][a1221m-1x_1-5][a2122h-1x_1-5_2*NCC/3=O]/1-2-3-4-2-3/a3-b1_a6-d1_b2-c1_d4-e1_e2-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146966

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