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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,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5s)-1,2,4,5-tetrahydroxyhexan-3-yl]oxyoxan-3-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,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5s)-1,2,4,5-tetrahydroxyhexan-3-yl]oxyoxan-3-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,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5s)-1,2,4,5-tetrahydroxyhexan-3-yl]oxyoxan-3-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

  • C31H54N2O23

inchi

  • InChI=1S/C31H54N2O23/c1-9(37)19(43)25(14(42)6-35)54-28-18(33-11(3)39)22(46)26(15(7-36)52-28)55-29-24(48)23(47)21(45)16(53-29)8-51-31(30(49)50)4-12(40)17(32-10(2)38)27(56-31)20(44)13(41)5-34/h9,12-29,34-37,40-48H,4-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-,29-,31+/m0/s1

inchikey

  • FEKUPBYHHBADRP-DUXNZIKBSA-N

mass

  • 822.764

monoisotopicmass

  • 822.31174

smiles

  • O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@H]([C@H](O)[C@@H](O)C)[C@H](O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/4,4,3/[h1221m][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_b4-c1_c6-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:155426

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