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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3s,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3s,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-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,3s,4s,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-6-[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-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

  • C72H120N6O51

inchi

  • InChI=1S/C72H120N6O51/c1-19-42(97)52(107)53(108)66(116-19)127-62-61(126-63-39(76-23(5)89)49(104)46(101)32(13-82)117-63)47(102)33(14-83)118-68(62)124-57-35(16-85)120-65(41(51(57)106)78-25(7)91)125-60-48(103)36(18-115-72(70(112)113)9-28(93)38(75-22(4)88)59(129-72)44(99)30(95)12-81)121-67(54(60)109)123-56-34(15-84)119-64(40(50(56)105)77-24(6)90)122-55(26(10-79)73-20(2)86)45(100)31(96)17-114-71(69(110)111)8-27(92)37(74-21(3)87)58(128-71)43(98)29(94)11-80/h19,26-68,79-85,92-109H,8-18H2,1-7H3,(H,73,86)(H,74,87)(H,75,88)(H,76,89)(H,77,90)(H,78,91)(H,110,111)(H,112,113)/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-,71+,72+/m0/s1

inchikey

  • JLNXUHZXKVAPFW-SDALZGBBSA-N

mass

  • 1885.743

monoisotopicmass

  • 1884.69809

smiles

  • O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@@H]([C@@H](O)[C@H](O)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](NC(=O)C)CO)[C@@H]2O)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)O[C@@H]1CO)[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[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)CO

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/6,9,8/[h2112h_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]/1-2-3-2-3-4-5-6-6/a3-b1_a6-i2_b4-c1_c3-d1_c6-h2_d4-e1_e2-f1_e3-g1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155181

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