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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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[(2r,3s,4s,5s,6s)-6-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[(2r,3s,4s,5s,6s)-6-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-2-[[(2r,3s,4s,5s,6s)-6-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-[[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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

  • C65H108N4O48

inchi

  • InChI=1S/C65H108N4O48/c1-15-33(81)42(90)45(93)59(104-15)103-14-28-51(40(88)30(56(98)105-28)67-17(3)76)112-58-31(68-18(4)77)41(89)50(25(11-74)109-58)113-62-48(96)54(115-61-47(95)43(91)35(83)22(8-71)107-61)39(87)27(111-62)13-102-60-46(94)44(92)36(84)26(110-60)12-101-57-32(69-19(5)78)52(37(85)23(9-72)106-57)114-63-49(97)55(38(86)24(10-73)108-63)117-65(64(99)100)6-20(79)29(66-16(2)75)53(116-65)34(82)21(80)7-70/h15,20-63,70-74,79-98H,6-14H2,1-5H3,(H,66,75)(H,67,76)(H,68,77)(H,69,78)(H,99,100)/t15-,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-,65-/m0/s1

inchikey

  • DDDFAASPLZBXMW-OELDGTJTSA-N

mass

  • 1713.559

monoisotopicmass

  • 1712.61330

smiles

  • O([C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]2O)CO)OC[C@H]3O[C@H](OC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]6CO[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)O)[C@@H](O)[C@@H](O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@@H]([C@@H]1O)CO)[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-alpha-D-manno-hexopyranosyl-(1->6)-[alpha-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)Man(a1-6)[Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
  • WURCS=2.0/7,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-4-2-5-6-7/a4-b1_a6-i1_b4-c1_c3-d1_c6-e1_e6-f1_f3-g1_g3-h2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151410

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