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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > biomacromolecule > polysaccharide > n-[(2s,3r,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-2,4,6-trihydroxy-1-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
... > chemical entity > molecular entity > polyatomic entity > macromolecule > biomacromolecule > polysaccharide > n-[(2s,3r,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-2,4,6-trihydroxy-1-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate > polysaccharide > n-[(2s,3r,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-2,4,6-trihydroxy-1-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Preferred term

n-[(2s,3r,4r,5s,6r)-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-2,4,6-trihydroxy-1-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C88H149N5O64

inchi

  • InChI=1S/C88H149N5O64/c1-20-43(110)54(121)60(127)81(136-20)134-18-28(109)67(45(112)27(8-94)89-22(3)104)148-77-39(90-23(4)105)51(118)70(35(15-101)142-77)152-86-66(133)74(50(117)38(147-86)19-135-87-75(59(126)49(116)32(12-98)141-87)156-78-40(91-24(5)106)52(119)68(33(13-99)143-78)150-83-62(129)56(123)46(113)29(9-95)138-83)155-88-76(157-79-41(92-25(6)107)53(120)69(34(14-100)144-79)151-84-63(130)57(124)47(114)30(10-96)139-84)65(132)71(36(16-102)146-88)149-80-42(93-26(7)108)73(154-82-61(128)55(122)44(111)21(2)137-82)72(37(17-103)145-80)153-85-64(131)58(125)48(115)31(11-97)140-85/h20-21,27-88,94-103,109-133H,8-19H2,1-7H3,(H,89,104)(H,90,105)(H,91,106)(H,92,107)(H,93,108)/t20-,21-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+,50+,51+,52+,53+,54+,55+,56-,57-,58-,59-,60-,61-,62+,63+,64+,65-,66-,67+,68+,69+,70+,71+,72+,73+,74-,75-,76-,77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,87-,88+/m0/s1

inchikey

  • HTBURDSRALPXSE-CXNOLURPSA-N

mass

  • 2301.131

monoisotopicmass

  • 2299.85584

smiles

  • O([C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1CO)O[C@H]4[C@H](O)[C@H](O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)[C@H]4O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)CO)[C@@H]%10O[C@@H]([C@@H](O[C@@H]%11O[C@@H]([C@H](O)[C@H](O)[C@H]%11O)CO)[C@H](O[C@@H]%12O[C@H]([C@@H](O)[C@@H](O)[C@@H]%12O)C)[C@H]%10NC(=O)C)CO

subset

  • 2_STAR

synonym RELATED

  • WURCS=2.0/6,13,12/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-2-6-5-4-2-5-6/a4-b1_a6-m1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g3-h1_g4-i1_j2-k1_k4-l1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:150832

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