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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 > alpha-neup5ac-(2->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->4)-beta-d-galp-(1->4)-beta-d-glcp
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > alpha-neup5ac-(2->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->4)-beta-d-galp-(1->4)-beta-d-glcp
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > amino oligosaccharide > amino pentasaccharide > alpha-neup5ac-(2->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->4)-beta-d-galp-(1->4)-beta-d-glcp

Preferred term

alpha-neup5ac-(2->3)-beta-d-galp-(1->3)-beta-d-glcpnac-(1->4)-beta-d-galp-(1->4)-beta-d-glcp  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H62N2O29

inchi

  • InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-30(17)19(49)12(48)4-40)68-31-21(51)14(6-42)62-35(26(31)56)66-29-18(39-10(2)46)33(61-13(5-41)20(29)50)64-28-16(8-44)63-34(25(55)23(28)53)65-27-15(7-43)60-32(57)24(54)22(27)52/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23+,24+,25+,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,37-/m0/s1

inchikey

  • ARFQJPSHMFTBIY-IVBIICNGSA-N

mass

  • 998.888

monoisotopicmass

  • 998.34382

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose

synonym RELATED

  • (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
  • alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc
  • N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose
  • Neu5Aca2-3Galb1-3GlcNAcb1-4Galb1-4Glcb
  • Neu5Acalpha2-3Galbeta1-3GlcNAcbeta1-4Galbeta1-4Glcbeta
  • NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-4)Gal(b1-4)b-Glc
  • WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b4-c1_c3-d1_d3-e2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150468

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