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

Preferred term

(4s,5r,6r)-2-[[(2r,3r,4r,5r,6s)-5-acetamido-4-[(3r,4s,5s,6r)-4-[(4s,5r,6r)-2-carboxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-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

  • C36H59N3O29

inchi

  • InChI=1S/C36H59N3O29/c1-10(45)37-21-27(25(55)16(63-31(21)57)9-62-35(33(58)59)2-11(46)19(38-17(50)7-43)28(66-35)22(52)13(48)4-40)65-32-26(56)30(24(54)15(6-42)64-32)68-36(34(60)61)3-12(47)20(39-18(51)8-44)29(67-36)23(53)14(49)5-41/h11-16,19-32,40-44,46-49,52-57H,2-9H2,1H3,(H,37,45)(H,38,50)(H,39,51)(H,58,59)(H,60,61)/t11-,12-,13+,14+,15+,16+,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,29+,30-,31-,32?,35?,36?/m0/s1

inchikey

  • PZFXQTGXQQHXKX-BDLMRYPKSA-N

mass

  • 997.860

monoisotopicmass

  • 997.32342

smiles

  • O([C@@H]1[C@@H](O)C(O[C@H]2[C@@H](O)[C@H](O[C@H](O)[C@@H]2NC(=O)C)COC3(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]([C@@H]1O)CO)C4(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->3)-D-galacto-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • NeuGc(?2-3)Gal(?1-3)[NeuGc(?2-6)]a-GalNAc
  • WURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2-3-3/a3-b1_a6-d2_b3-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156785

Download this concept:

RDF/XML TURTLE JSON-LD