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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,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-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,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-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,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-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

  • C27H45N3O19

inchi

  • InChI=1S/C27H45N3O19/c1-8(33)28-15-11(36)4-27(26(43)44,49-23(15)18(38)12(37)5-31)45-7-14-19(39)20(40)17(30-10(3)35)25(47-14)48-22-13(6-32)46-24(42)16(21(22)41)29-9(2)34/h11-25,31-32,36-42H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24?,25-,27+/m0/s1

inchikey

  • LDPRACDVBWJXGZ-YVGSAIEMSA-N

mass

  • 715.659

monoisotopicmass

  • 715.26473

smiles

  • O1[C@@H]([C@H](O)[C@H](O)[C@@H](NC(=O)C)[C@@H]1O[C@H]2[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]2CO)O)CO[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[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->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
  • NeuAc(a2-6)GalNAc(b1-4)GlcNAc
  • WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b6-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151325

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