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

  • C80H134N4O58

inchi

  • InChI=1S/C80H134N4O58/c1-17-37(97)49(109)54(114)73(121-17)140-66-63(137-71-35(83-22(6)95)61(43(103)27(11-88)125-71)134-76-57(117)52(112)40(100)24(8-85)127-76)45(105)29(13-90)129-78(66)133-59-31(15-92)131-70(33(48(59)108)81-20(4)93)120-16-32-47(107)65(68(142-75-56(116)51(111)39(99)19(3)123-75)80(132-32)136-60-34(82-21(5)94)69(119)124-26(10-87)42(60)102)139-79-67(141-74-55(115)50(110)38(98)18(2)122-74)64(46(106)30(14-91)130-79)138-72-36(84-23(7)96)62(44(104)28(12-89)126-72)135-77-58(118)53(113)41(101)25(9-86)128-77/h17-19,24-80,85-92,97-119H,8-16H2,1-7H3,(H,81,93)(H,82,94)(H,83,95)(H,84,96)/t17-,18-,19-,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-/m0/s1

inchikey

  • IVLJZUJZKLKIPP-WXVMNJMOSA-N

mass

  • 2079.922

monoisotopicmass

  • 2078.76590

smiles

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

subset

  • 2_STAR

synonym RELATED

  • alpha-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[alpha-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-beta-D-galacto-hexopyranosyl-(1->3)][6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • Gal(a1-3)GalNAc(a1-3)[Fuc(a1-2)]Gal(b1-4)GlcNAc(b1-6)[Gal(a1-3)GalNAc(a1-3)[Fuc(a1-2)]Gal(b1-3)][Fuc(a1-2)]Gal(b1-3)GalNAc
  • WURCS=2.0/6,12,11/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-4-5-6-2-3-4-5/a3-b1_b2-c1_b3-d1_b6-h1_d2-e1_d3-f1_f3-g1_h4-i1_i2-j1_i3-k1_k3-l1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:152609

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