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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 > (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]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 > (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]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 > (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H41NO20

inchi

  • InChI=1S/C25H41NO20/c1-7(28)26-13-9(30)3-25(24(39)40,46-21(13)14(32)10(31)5-41-8(2)29)42-6-12-15(33)16(34)19(37)23(44-12)45-20-11(4-27)43-22(38)18(36)17(20)35/h9-23,27,30-38H,3-6H2,1-2H3,(H,26,28)(H,39,40)/t9-,10+,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+,21+,22?,23-,25+/m0/s1

inchikey

  • LCCJNHMQINEXAO-PUZROJSUSA-N

mass

  • 675.590

monoisotopicmass

  • 675.22219

smiles

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

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O_9*OCC/3=O]/1-2-3/a4-b1_b6-c2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:153190

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