Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2s,3r,4s,5r)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H50N2O21
inchi
- InChI=1S/C28H50N2O21/c1-8(36)29-15-20(43)18(41)12(5-33)46-26(15)51-25-19(42)13(6-34)47-28(22(25)45)50-24-14(7-35)48-27(16(21(24)44)30-9(2)37)49-23(11(39)4-32)17(40)10(38)3-31/h10-28,31-35,38-45H,3-7H2,1-2H3,(H,29,36)(H,30,37)/t10-,11+,12-,13-,14-,15-,16-,17+,18-,19+,20-,21-,22-,23-,24-,25+,26+,27+,28+/m1/s1
inchikey
- HAXQCVKEADVVGN-FEUMAUILSA-N
mass
- 750.701
monoisotopicmass
- 750.29061
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)CO)[C@@H](O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@H]2O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,4,3/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2/a3-b1_b4-c1_c3-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148502
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