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Chemistry, part 2

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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 > biomacromolecule > polysaccharide > n-[(2s,3r,4r,5s,6r)-2-[(2r,3r,4r,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2s,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
... > chemical entity > molecular entity > polyatomic entity > macromolecule > biomacromolecule > polysaccharide > n-[(2s,3r,4r,5s,6r)-2-[(2r,3r,4r,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2s,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > polysaccharide > n-[(2s,3r,4r,5s,6r)-2-[(2r,3r,4r,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2s,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C82H137N5O60

inchi

  • InChI=1S/C82H137N5O60/c1-18-40(103)51(114)56(119)76(126-18)143-66-39(87-23(6)102)71(124)127-33(16-97)64(66)141-73-36(84-20(3)99)48(111)63(31(14-95)134-73)140-80-60(123)68(145-82-70(55(118)45(108)28(11-92)133-82)147-75-38(86-22(5)101)50(113)62(32(15-96)136-75)139-79-59(122)67(46(109)29(12-93)131-79)144-78-58(121)53(116)43(106)26(9-90)130-78)65(142-72-35(83-19(2)98)47(110)41(104)24(7-88)128-72)34(137-80)17-125-81-69(54(117)44(107)27(10-91)132-81)146-74-37(85-21(4)100)49(112)61(30(13-94)135-74)138-77-57(120)52(115)42(105)25(8-89)129-77/h18,24-82,88-97,103-124H,7-17H2,1-6H3,(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)/t18-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45+,46-,47+,48+,49+,50+,51+,52-,53-,54-,55-,56-,57+,58+,59+,60-,61+,62+,63+,64+,65+,66+,67-,68+,69-,70-,71?,72-,73-,74-,75-,76-,77-,78+,79-,80-,81-,82+/m0/s1

inchikey

  • XKEDEEYHRWSVOB-ORWZWUQSSA-N

mass

  • 2152.973

monoisotopicmass

  • 2151.78228

smiles

  • O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@H](O)[C@@H]1O[C@H]7[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]7CO)O[C@H]8[C@H](O[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)[C@@H](NC(=O)C)C(O[C@@H]8CO)O)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO

subset

  • 2_STAR

synonym RELATED

  • alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]GlcNAc
  • WURCS=2.0/7,12,11/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4-5-3-6-7-3-5-3-6/a3-b1_a4-c1_c4-d1_d3-e1_d4-i1_d6-j1_e2-f1_f4-g1_g3-h1_j2-k1_k4-l1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149383

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