Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5s,6r)-2-[(2r,3r,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C40H68N2O31
inchi
- InChI=1S/C40H68N2O31/c1-9(48)41-17-23(54)19(50)11(3-43)65-36(17)63-8-16-22(53)33(72-38-28(59)24(55)20(51)12(4-44)66-38)18(42-10(2)49)37(69-16)73-34-21(52)13(5-45)67-40(30(34)61)71-32-15(7-47)68-39(29(60)26(32)57)70-31-14(6-46)64-35(62)27(58)25(31)56/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,12-,13-,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-/m1/s1
inchikey
- RWDWEKYQPRSZMG-XXSQGVFPSA-N
mass
- 1072.967
monoisotopicmass
- 1072.38060
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)CO)[C@H]1NC(=O)C)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H]4[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]6CO)O)O[C@@H]([C@@H]4O)CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- Gal(b1-3)[GlcNAc(b1-6)]GalNAc(b1-3)Gal(a1-4)Gal(b1-4)b-Glc
- WURCS=2.0/5,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-5/a4-b1_b4-c1_c3-d1_d3-e1_d6-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:152189
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