Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H50N2O20
inchi
- InChI=1S/C28H50N2O20/c1-8-16(38)20(42)22(44)27(45-8)50-25-21(43)18(40)13(6-33)47-28(25)49-24-15(30-10(3)36)26(46-14(7-34)19(24)41)48-23(17(39)12(37)5-32)11(4-31)29-9(2)35/h8,11-28,31-34,37-44H,4-7H2,1-3H3,(H,29,35)(H,30,36)/t8-,11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21-,22-,23+,24+,25+,26-,27-,28-/m0/s1
inchikey
- BGEQIEIHNAYIKL-QOASLIFGSA-N
mass
- 734.702
monoisotopicmass
- 734.29569
smiles
- O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,4,3/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4/a3-b1_b3-c1_c2-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:146576
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