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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)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-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)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-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)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-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)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-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

  • C80H131N7O57

inchi

  • InChI=1S/C80H131N7O57/c1-20(95)81-39-27(102)8-79(77(122)123,143-65(39)46(106)29(104)10-88)127-18-37-49(109)57(117)58(118)74(136-37)137-61-34(15-93)133-70(42(55(61)115)84-23(4)98)126-17-36-53(113)68(142-73-45(87-26(7)101)64(50(110)32(13-91)131-73)140-75-59(119)67(51(111)33(14-92)132-75)141-71-41(83-22(3)97)54(114)48(108)31(12-90)130-71)60(120)76(135-36)138-62-35(16-94)134-72(43(56(62)116)85-24(5)99)139-63-44(86-25(6)100)69(121)129-38(52(63)112)19-128-80(78(124)125)9-28(103)40(82-21(2)96)66(144-80)47(107)30(105)11-89/h27-76,88-94,102-121H,8-19H2,1-7H3,(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,122,123)(H,124,125)/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+,72-,73-,74-,75-,76-,79+,80+/m0/s1

inchikey

  • XOUXJRCXQZKXIR-VXKLDFHWSA-N

mass

  • 2102.920

monoisotopicmass

  • 2101.75673

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](OC(O)[C@@H]3NC(=O)C)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]([C@@H]1O)CO[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5NC(=O)C)CO)[C@@H]8O[C@@H]([C@@H](O)[C@H](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]%10NC(=O)C)CO)[C@H]9O)CO)[C@H]8NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • GalNAc(a1-3)Gal(b1-3)GlcNAc(b1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]GalNAc
  • WURCS=2.0/5,10,9/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-4-2-3-5-5/a3-b1_a6-j2_b4-c1_c3-d1_c6-g1_d3-e1_e3-f1_g4-h1_h6-i2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150263

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