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

  • C37H62N2O29

inchi

  • InChI=1S/C37H62N2O29/c1-9(43)38-17-11(45)3-37(36(58)59,68-30(17)19(47)12(46)4-40)61-8-16-21(49)24(52)26(54)33(64-16)60-7-15-20(48)25(53)27(55)34(65-15)67-31-23(51)14(6-42)63-35(28(31)56)66-29-18(39-10(2)44)32(57)62-13(5-41)22(29)50/h11-35,40-42,45-57H,3-8H2,1-2H3,(H,38,43)(H,39,44)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,37+/m0/s1

inchikey

  • UFHIAGZHTQNKRH-ZSNRULKZSA-N

mass

  • 998.888

monoisotopicmass

  • 998.34382

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)O)O[C@@H]([C@@H]1O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO[C@]5(O[C@H]([C@H](NC(=O)C)[C@@H](O)C5)[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)-beta-D-galacto-hexopyranosyl-(1->6)-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose
  • NeuAc(a2-6)Gal(b1-6)Glc(b1-3)Gal(b1-3)b-GalNAc
  • WURCS=2.0/4,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a3-b1_b3-c1_c6-d1_d6-e2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151766

Download this concept:

RDF/XML TURTLE JSON-LD