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,3s,4r,5r,6s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5r)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxyoxan-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,3s,4r,5r,6s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5r)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxyoxan-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,3s,4r,5r,6s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5r)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxyoxan-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

  • C54H89N3O41

inchi

  • InChI=1S/C54H89N3O41/c1-13-28(70)34(76)35(77)48(87-13)95-45-36(78)46(81)88-23(11-62)39(45)92-49-37(79)43(31(73)21(9-60)89-49)94-47-27(57-16(4)65)40(33(75)24(91-47)12-86-53(51(82)83)5-17(66)25(55-14(2)63)41(96-53)29(71)19(68)7-58)93-50-38(80)44(32(74)22(10-61)90-50)98-54(52(84)85)6-18(67)26(56-15(3)64)42(97-54)30(72)20(69)8-59/h13,17-50,58-62,66-81H,5-12H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,82,83)(H,84,85)/t13-,17-,18-,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-,53+,54-/m0/s1

inchikey

  • OVGFXQYPIKZPFJ-HCXBLTNNSA-N

mass

  • 1436.286

monoisotopicmass

  • 1435.49715

smiles

  • O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@@H](O)C(O[C@@H]4CO)O)[C@@H]6O[C@@H]([C@H](O)[C@H](O[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]6O)CO

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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-D-gluco-hexopyranose
  • NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]Glc
  • WURCS=2.0/5,7,6/[a2122h-1x_1-5][a1221m-1a_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-3-5-5/a3-b1_a4-c1_c3-d1_d3-e1_d6-g2_e3-f2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151662

Download this concept:

RDF/XML TURTLE JSON-LD