skip to main content

Chemistry, part 3

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > (2s,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2s,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > (2s,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2s,4s,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6s)-5-acetamido-2-[[(2r,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-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

  • C39H65N3O30

inchi

  • InChI=1S/C39H65N3O30/c1-10(48)40-20-26(57)30(69-36-28(59)27(58)23(54)14(5-44)66-36)16(7-46)68-35(20)64-9-17-25(56)31(21(34(61)65-17)41-11(2)49)70-37-29(60)33(24(55)15(6-45)67-37)72-39(38(62)63)3-12(50)19(42-18(52)8-47)32(71-39)22(53)13(51)4-43/h12-17,19-37,43-47,50-51,53-61H,3-9H2,1-2H3,(H,40,48)(H,41,49)(H,42,52)(H,62,63)/t12-,13+,14+,15+,16+,17+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36-,37-,39-/m0/s1

inchikey

  • XBGKKAYTAPXZLL-JAURMGLPSA-N

mass

  • 1055.940

monoisotopicmass

  • 1055.36529

smiles

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

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • NeuGc(a2-3)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]a-GalNAc
  • WURCS=2.0/4,5,4/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2/a3-b1_a6-d1_b3-c2_d4-e1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157162

Download this concept:

RDF/XML TURTLE JSON-LD