skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5r,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-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,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5r,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-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,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5r,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4s,5r,6r)-6-[[(2r,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-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

  • C56H92N4O42

inchi

  • InChI=1S/C56H92N4O42/c1-14(66)57-27-18(70)5-55(53(86)87,101-45(27)31(74)20(72)7-61)90-12-25-33(76)37(80)39(82)51(95-25)98-42-23(10-64)93-49(29(35(42)78)59-16(3)68)97-44-22(9-63)92-48(85)47(41(44)84)100-50-30(60-17(4)69)36(79)43(24(11-65)94-50)99-52-40(83)38(81)34(77)26(96-52)13-91-56(54(88)89)6-19(71)28(58-15(2)67)46(102-56)32(75)21(73)8-62/h18-52,61-65,70-85H,5-13H2,1-4H3,(H,57,66)(H,58,67)(H,59,68)(H,60,69)(H,86,87)(H,88,89)/t18-,19-,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-,55+,56+/m0/s1

inchikey

  • GGXZTVMLOBYDOF-IBBQZHJZSA-N

mass

  • 1493.338

monoisotopicmass

  • 1492.51861

smiles

  • O([C@@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)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](O)[C@H]2NC(=O)C)CO)[C@@H](O[C@@H]1CO)O)[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO[C@]7(O[C@H]([C@H](NC(=O)C)[C@@H](O)C7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranose
  • NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]b-Gal
  • WURCS=2.0/3,7,6/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-1-3-2-1-3/a2-b1_a4-e1_b4-c1_c6-d2_e4-f1_f6-g2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:152595

Download this concept:

RDF/XML TURTLE JSON-LD