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Chemistry, part 2

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... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > biomacromolecule > polysaccharide > (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-4-[(2r,3r,4s,5s,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-5-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-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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 > polyatomic entity > macromolecule > biomacromolecule > polysaccharide > (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-4-[(2r,3r,4s,5s,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-5-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-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > polysaccharide > (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-4-[(2r,3r,4s,5s,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-5-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-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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-4-[(2r,3r,4s,5s,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-4-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-5-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-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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

  • C94H154N8O66

inchi

  • InChI=1S/C94H154N8O66/c1-23-53(123)67(137)68(138)87(149-23)166-80-79(165-84-48(98-27(5)114)65(135)57(127)37(15-106)153-84)60(130)40(18-109)155-90(80)162-74-52(102-31(9)118)86(154-39(17-108)59(74)129)164-77-62(132)42(157-88(69(77)139)159-71-41(19-110)156-85(49(66(71)136)99-28(6)115)160-72-50(100-29(7)116)81(141)150-43(61(72)131)21-147-93(91(142)143)10-32(119)45(95-24(2)111)75(167-93)54(124)34(121)12-103)20-146-82-51(101-30(8)117)73(58(128)38(16-107)151-82)161-89-70(140)78(163-83-47(97-26(4)113)64(134)56(126)36(14-105)152-83)63(133)44(158-89)22-148-94(92(144)145)11-33(120)46(96-25(3)112)76(168-94)55(125)35(122)13-104/h23,32-90,103-110,119-141H,10-22H2,1-9H3,(H,95,111)(H,96,112)(H,97,113)(H,98,114)(H,99,115)(H,100,116)(H,101,117)(H,102,118)(H,142,143)(H,144,145)/t23-,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+,83+,84+,85-,86-,87-,88-,89-,90-,93+,94+/m0/s1

inchikey

  • LEIHQRFYTFPQDY-QLDXEYLLSA-N

mass

  • 2452.256

monoisotopicmass

  • 2450.89401

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[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)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-beta-D-galacto-hexopyranosyl-(1->3)-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
  • Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GlcNAc(b1-3)[GalNAc(a1-3)[NeuAc(a2-6)]Gal(b1-3)GlcNAc(b1-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]GalNAc
  • WURCS=2.0/6,12,11/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-4-5-2-3-5-6-6/a3-b1_a6-l2_b4-c1_c3-d1_c6-h1_d3-e1_e2-f1_e3-g1_h3-i1_i3-j1_i6-k2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149376

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