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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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > 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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C81H134N6O58

inchi

  • InChI=1S/C81H134N6O58/c1-19-43(104)55(116)58(119)75(127-19)125-18-36-63(52(113)38(70(122)128-36)83-21(3)97)138-72-40(85-23(5)99)54(115)62(34(16-95)134-72)139-76-59(120)66(141-79-69(57(118)47(108)30(12-91)133-79)143-73-41(86-24(6)100)53(114)61(33(15-94)135-73)137-71-39(84-22(4)98)51(112)45(106)28(10-89)129-71)50(111)35(136-76)17-126-78-68(56(117)46(107)29(11-90)132-78)142-74-42(87-25(7)101)64(48(109)31(13-92)130-74)140-77-60(121)67(49(110)32(14-93)131-77)145-81(80(123)124)8-26(102)37(82-20(2)96)65(144-81)44(105)27(103)9-88/h19,26-79,88-95,102-122H,8-18H2,1-7H3,(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,123,124)/t19-,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+,81-/m0/s1

inchikey

  • SYRNHWCAGDLIJU-WYDHCVKBSA-N

mass

  • 2119.947

monoisotopicmass

  • 2118.77205

smiles

  • O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)O)O[C@@H]([C@H]1O)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@]8(O[C@H]([C@H](NC(=O)C)[C@@H](O)C8)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]7O)CO)[C@H]6NC(=O)C)CO)CO)[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@@H](O)[C@H]%11NC(=O)C)CO)[C@H](O)[C@H]%10NC(=O)C)CO)CO

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-6)[GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
  • WURCS=2.0/8,11,10/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-4-2-6-7-8/a4-b1_a6-k1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_h3-i1_i3-j2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150271

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