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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3s,4s,5r,6r)-6-[(1s,2r)-1-[(2r,3r,4s,6r)-3-acetamido-6-carboxy-4-hydroxy-6-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-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 > (2r,4s,5r,6r)-5-acetamido-2-[[(2r,3s,4s,5r,6r)-6-[(1s,2r)-1-[(2r,3r,4s,6r)-3-acetamido-6-carboxy-4-hydroxy-6-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-5-acetamido-2-[[(2r,3s,4s,5r,6r)-6-[(1s,2r)-1-[(2r,3r,4s,6r)-3-acetamido-6-carboxy-4-hydroxy-6-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-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

  • C34H56N2O27

inchi

  • InChI=1S/C34H56N2O27/c1-9(39)35-17-11(41)3-33(31(53)54,62-27(17)19(44)13(43)5-37)58-8-16-21(46)24(49)26(51)30(61-16)60-14(6-38)22(47)28-18(36-10(2)40)12(42)4-34(63-28,32(55)56)57-7-15-20(45)23(48)25(50)29(52)59-15/h11-30,37-38,41-52H,3-8H2,1-2H3,(H,35,39)(H,36,40)(H,53,54)(H,55,56)/t11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,33+,34+/m0/s1

inchikey

  • SFIFQDYNAPUHIO-ULNOIHNESA-N

mass

  • 924.809

monoisotopicmass

  • 924.30704

smiles

  • O1[C@H]([C@H](NC(=O)C)[C@@H](O)C[C@]1(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)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)CO

subset

  • 2_STAR

synonym RELATED

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-gluco-hexopyranosyl-(1->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-gluco-hexopyranose
  • NeuAc(a2-6)Glc(b1-8)NeuAc(a2-6)b-Glc
  • WURCS=2.0/2,4,3/[a2122h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-1-2/a6-b2_b8-c1_c6-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155251

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