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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > 2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > 2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Preferred term

2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-(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)23(13(6-37)54-28(16)55-24-12(5-36)52-27(49)21(47)20(24)46)56-29-22(48)26(18(44)11(4-35)53-29)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?/m1/s1

inchikey

  • YZWPJKJOBMUNOD-MBAFJEEYSA-N

mass

  • 852.746

monoisotopicmass

  • 852.28592

smiles

  • O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@H](O)C(O[C@@H]3CO)O)O[C@@H]([C@@H]1O)CO)C4(OC(C(NC(=O)CO)C(O)C4)C(O)C(O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-D-manno-hexopyranose
  • 3-deoxy-Non2ulo5NGc-onic(?2-3)Gal(b1-4)GlcNAc(b1-4)Man
  • WURCS=2.0/4,4,3/[a1122h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aadxxxxxh-2a_2-6_5*NCCO/3=O]/1-2-3-4/a4-b1_b4-c1_c3-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150909

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