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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 > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-4-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-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 > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-4-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-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 > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-4-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6s)-4-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-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

  • C81H130N6O61

inchi

  • InChI=1S/C81H130N6O61/c1-21(96)82-41-27(102)7-77(72(122)123,142-61(41)47(110)32(107)12-88)132-20-40-53(116)60(139-70-56(119)66(50(113)35(15-91)134-70)147-80(75(128)129)10-30(105)43(84-23(3)98)63(144-80)49(112)34(109)14-90)46(87-26(6)101)69(136-40)138-59-39(19-95)135-71(137-58-38(18-94)133-68(121)55(118)54(58)117)57(120)67(59)148-81(76(130)131)11-31(106)45(86-25(5)100)65(146-81)52(115)37(17-93)141-79(74(126)127)9-29(104)44(85-24(4)99)64(145-79)51(114)36(16-92)140-78(73(124)125)8-28(103)42(83-22(2)97)62(143-78)48(111)33(108)13-89/h27-71,88-95,102-121H,7-20H2,1-6H3,(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/t27-,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-,77+,78+,79+,80-,81-/m0/s1

inchikey

  • PMNVJGHIGMHXJV-PKONTWHQSA-N

mass

  • 2163.912

monoisotopicmass

  • 2162.72549

smiles

  • O([C@H]1[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)CO)[C@H]2NC(=O)C)CO[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]6CO)O)[C@@H]1O)CO)[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[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[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)CO)C(O)=O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • NeuAc(a2-8)NeuAc(a2-8)NeuAc(a2-3)[NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GalNAc(b1-4)]Gal(b1-4)b-Glc
  • WURCS=2.0/4,9,8/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-3-3-4-2-3-3/a4-b1_b3-c2_b4-f1_c8-d2_d8-e2_f3-g1_f6-i2_g3-h2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157202

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