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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[[(2r,3r,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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 > (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[[(2r,3r,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

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

  • C31H52N2O24

inchi

  • InChI=1S/C31H52N2O24/c1-8(37)32-15-10(39)3-31(30(49)50,56-25(15)17(41)11(40)4-34)57-26-20(44)13(6-36)54-29(23(26)47)55-24-16(33-9(2)38)28(53-12(5-35)19(24)43)51-7-14-18(42)21(45)22(46)27(48)52-14/h10-29,34-36,39-48H,3-7H2,1-2H3,(H,32,37)(H,33,38)(H,49,50)/t10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-,21-,22+,23+,24+,25+,26-,27+,28+,29-,31-/m0/s1

inchikey

  • QRLXXYCYEHEBLQ-FBXQTWNYSA-N

mass

  • 836.747

monoisotopicmass

  • 836.29100

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)OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)O[C@@H]([C@@H]1O)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

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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranose
  • NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)b-Gal
  • WURCS=2.0/3,4,3/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-1-3/a6-b1_b3-c1_c3-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:153469

Download this concept:

RDF/XML TURTLE JSON-LD