Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[[(2r,3s,4s,5r,6s)-4-[(2s,3r,4r,5s,6r)-3-acetamido-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-2-yl]oxy-3,5-dihydroxy-6-[(2r,3r,4r,5s)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]-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
- C46H80N2O35
inchi
- InChI=1S/C46H80N2O35/c1-11-23(59)30(66)33(69)43(73-11)83-40-32(68)26(62)17(7-52)76-46(40)81-38-22(48-13(3)56)42(74-18(8-53)27(38)63)82-39-28(64)20(78-45(35(39)71)79-36(15(58)5-50)24(60)14(57)4-49)10-72-41-21(47-12(2)55)29(65)37(19(9-54)77-41)80-44-34(70)31(67)25(61)16(6-51)75-44/h11,14-46,49-54,57-71H,4-10H2,1-3H3,(H,47,55)(H,48,56)/t11-,14-,15+,16+,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-,45-,46-/m0/s1
inchikey
- RVFYWVJHFRGXGD-VJMDAEIDSA-N
mass
- 1221.125
monoisotopicmass
- 1220.45416
smiles
- O([C@@H]1O[C@@H]([C@@H](O)[C@H](O[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)[C@H]1NC(=O)C)CO)[C@H]4[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@@H]4O)CO[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,7,6/[h2122h][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-3-2/a4-b1_b3-c1_b6-f1_c3-d1_d2-e1_f4-g1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148228
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