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

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

  • C47H78N4O35

inchi

  • InChI=1S/C47H78N4O35/c1-12(58)48-24-31(68)28(65)17(6-53)78-43(24)83-37-20(9-56)81-45(35(72)40(37)86-47(46(74)75)4-15(61)23(51-22(63)10-57)39(85-47)27(64)16(62)5-52)82-36-19(8-55)80-42(25(32(36)69)49-13(2)59)76-11-21-30(67)38(26(41(73)77-21)50-14(3)60)84-44-34(71)33(70)29(66)18(7-54)79-44/h15-21,23-45,52-57,61-62,64-73H,4-11H2,1-3H3,(H,48,58)(H,49,59)(H,50,60)(H,51,63)(H,74,75)/t15-,16+,17+,18+,19+,20+,21+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36+,37-,38+,39+,40+,41-,42?,43?,44?,45?,47?/m0/s1

inchikey

  • LZNFOUIUZHKDKX-UHFCZZIFSA-N

mass

  • 1259.134

monoisotopicmass

  • 1258.44466

smiles

  • O([C@H]1[C@@H](OC2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](OC(O[C@H]3[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]3CO)OC[C@H]4O[C@H](O)[C@H](NC(=O)C)[C@@H](OC5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H]4O)[C@@H]1O)CO)C6(O[C@H]([C@H](NC(=O)CO)[C@@H](O)C6)[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)-[2-acetamido-2-deoxy-D-galacto-hexopyranosyl-(1->4)]-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)-[D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
  • NeuGc(?2-3)[GalNAc(?1-4)]Gal(?1-4)GlcNAc(?1-6)[Gal(?1-3)]a-GalNAc
  • WURCS=2.0/5,6,5/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1x_1-5][a2122h-1x_1-5_2*NCC/3=O][Aad21122h-2x_2-6_5*NCCO/3=O][a2112h-1x_1-5_2*NCC/3=O]/1-2-3-2-4-5/a3-b1_a6-c1_c4-d1_d3-e2_d4-f1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157227

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