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Chemistry, part 3

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

  • C31H52N2O25

inchi

  • InChI=1S/C31H52N2O25/c1-8(39)32-16-19(45)18(44)11(4-35)53-28(16)56-24-13(6-37)54-29(55-23-12(5-36)52-27(49)21(47)20(23)46)22(48)26(24)58-31(30(50)51)2-9(40)15(33-14(42)7-38)25(57-31)17(43)10(41)3-34/h9-13,15-29,34-38,40-41,43-49H,2-7H2,1H3,(H,32,39)(H,33,42)(H,50,51)/t9-,10+,11+,12+,13+,15+,16+,17+,18-,19+,20+,21+,22+,23+,24-,25+,26+,27+,28-,29-,31-/m0/s1

inchikey

  • UVJCVYUZPCGWTB-JMPXLUEMSA-N

mass

  • 852.746

monoisotopicmass

  • 852.28592

smiles

  • O([C@H]1[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]1O)CO)[C@]4(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-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • NeuGc(a2-3)[GalNAc(b1-4)]Gal(b1-4)b-Glc
  • WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_b4-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:151464

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