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

Preferred term

(2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-2,3-dihydroxypropyl]-2-[(3r,4s,5s,6r)-2-[(3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxyoxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C42H69N3O32

inchi

  • InChI=1S/C42H69N3O32/c1-11(51)43-21-14(54)4-41(39(65)66,75-32(21)24(58)16(56)6-46)74-30(17(57)7-47)33-22(44-12(2)52)15(55)5-42(76-33,40(67)68)77-35-26(60)19(9-49)71-38(29(35)63)73-34-25(59)18(8-48)70-37(28(34)62)72-31-20(10-50)69-36(64)23(27(31)61)45-13(3)53/h14-38,46-50,54-64H,4-10H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)(H,65,66)(H,67,68)/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?,41+,42-/m0/s1

inchikey

  • BKVNSQOKNPPTCM-DIPDNMOKSA-N

mass

  • 1128.003

monoisotopicmass

  • 1127.38642

smiles

  • O1[C@H]([C@H](NC(=O)C)[C@@H](O)C[C@]1(O[C@@H]2[C@@H](O)C(O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@@H](O)C(O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O)C(O)=O)[C@H](O[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)CO

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->7)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-D-galacto-hexopyranosyl-(1->3)-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
  • NeuAc(a2-7)NeuAc(a2-3)Gal(?1-3)Gal(?1-4)b-GlcNAc
  • WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-2-3-3/a4-b1_b3-c1_c3-d2_d7-e2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151328

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