Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4r,5r,6r)-5-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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
- C44H76N4O31
inchi
- InChI=1S/C44H76N4O31/c1-12(55)45-16(5-49)36(76-43-34(68)32(66)38(21(9-53)74-43)77-41-23(46-13(2)56)29(63)27(61)18(6-50)71-41)26(60)17(59)11-70-40-25(48-15(4)58)31(65)37(20(8-52)73-40)79-44-35(69)33(67)39(22(10-54)75-44)78-42-24(47-14(3)57)30(64)28(62)19(7-51)72-42/h16-44,49-54,59-69H,5-11H2,1-4H3,(H,45,55)(H,46,56)(H,47,57)(H,48,58)/t16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-/m0/s1
inchikey
- GFVSQQVRAFBEGP-BZDWBMODSA-N
mass
- 1157.089
monoisotopicmass
- 1156.44935
smiles
- O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)OC[C@@H](O)[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]3NC(=O)C)CO)[C@H](O)[C@H]2O)CO)[C@@H](NC(=O)C)CO)[C@@H]4O[C@@H]([C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@H]4O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-3/a3-b1_a6-d1_b4-c1_d4-e1_e4-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:152865
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