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Chemistry, part 2

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Concept information

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

Preferred term

n-[(2r,3r,4r,5s,6r)-5-[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[[(2s,3s,4s,5r,6r)-6-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C68H115NO56

inchi

  • InChI=1S/C68H115NO56/c1-13(77)69-25-36(88)52(20(8-76)109-58(25)104)120-65-51(103)54(35(87)24(118-65)11-107-61-50(102)53(121-62-47(99)38(90)27(79)15(3-71)111-62)34(86)23(117-61)12-108-66-55(42(94)30(82)18(6-74)114-66)123-63-48(100)39(91)28(80)16(4-72)112-63)122-68-57(125-67-56(43(95)31(83)19(7-75)115-67)124-64-49(101)40(92)29(81)17(5-73)113-64)44(96)33(85)22(119-68)10-106-60-46(98)41(93)32(84)21(116-60)9-105-59-45(97)37(89)26(78)14(2-70)110-59/h14-68,70-76,78-104H,2-12H2,1H3,(H,69,77)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,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-/m1/s1

inchikey

  • WMMTUFTZQNCPMC-ZRRNAYSCSA-N

mass

  • 1842.619

monoisotopicmass

  • 1841.61817

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]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@@H]3O)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]6O)CO)CO)[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO)CO)CO[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O)CO[C@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@@H]%11O)CO

subset

  • 2_STAR

synonym RELATED

  • alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->2)-[alpha-D-manno-hexopyranosyl-(1->6)-alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->3)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
  • Man(a1-2)Man(a1-2)[Man(a1-6)Man(a1-6)]Man(a1-3)[Man(a1-2)Man(a1-6)[Man(a1-3)]Man(a1-6)]Man(b1-4)b-GlcNAc
  • WURCS=2.0/3,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3-3-3-3-3-3/a4-b1_b3-c1_b6-h1_c2-d1_c6-f1_d2-e1_f6-g1_h3-i1_h6-j1_j2-k1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155172

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