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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,4r,5s)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-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-6-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-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,4r,5s)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-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-6-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-5-acetamido-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5s,6r)-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-6-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-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

  • C75H126N6O53

inchi

  • InChI=1S/C75H126N6O53/c1-19-42(99)53(110)55(112)70(119-19)133-65-64(132-67-38(78-22(4)92)49(106)45(102)30(11-84)120-67)47(104)32(13-86)122-73(65)130-61-35(16-89)125-69(41(52(61)109)81-25(7)95)131-63-48(105)36(18-117-66-39(79-23(5)93)50(107)59(33(14-87)123-66)128-71-56(113)54(111)46(103)31(12-85)121-71)126-72(57(63)114)129-60-34(15-88)124-68(40(51(60)108)80-24(6)94)127-58(26(9-82)76-20(2)90)44(101)29(98)17-118-75(74(115)116)8-27(96)37(77-21(3)91)62(134-75)43(100)28(97)10-83/h19,26-73,82-89,96-114H,8-18H2,1-7H3,(H,76,90)(H,77,91)(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,115,116)/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-,69-,70-,71-,72-,73-,75+/m0/s1

inchikey

  • XCXADOUZXMNVFN-KLIMIXLBSA-N

mass

  • 1959.822

monoisotopicmass

  • 1958.73487

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@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO)O[C@@H]1CO)[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8NC(=O)C)CO)[C@H]7O[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)CO

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/6,10,9/[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]/1-2-3-2-3-4-5-2-3-6/a3-b1_a6-j2_b4-c1_c3-d1_c6-h1_d4-e1_e2-f1_e3-g1_h4-i1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:152750

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