Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-4-[(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-2,3,5,6-tetrahydroxyhexoxy]-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
- C34H60N2O26
inchi
- InChI=1S/C34H60N2O26/c1-9(42)35-17-22(49)29(61-33-26(53)24(51)20(47)13(4-38)56-33)15(6-40)58-31(17)55-8-12(45)19(46)28(11(44)3-37)60-32-18(36-10(2)43)23(50)30(16(7-41)59-32)62-34-27(54)25(52)21(48)14(5-39)57-34/h11-34,37-41,44-54H,3-8H2,1-2H3,(H,35,42)(H,36,43)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,29+,30+,31+,32-,33-,34-/m0/s1
inchikey
- PPLLIJJRBWLTJL-MLQQNJQNSA-N
mass
- 912.842
monoisotopicmass
- 912.34343
smiles
- O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](NC(=O)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H](O)CO)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,5,4/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a3-b1_a6-d1_b4-c1_d4-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150691
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