Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-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(49)41-17-23(55)30(16(8-48)68-36(17)72-33-21(53)13(5-45)67-40(28(33)60)70-31-15(7-47)63-35(62)26(58)25(31)57)69-39-29(61)34(22(54)14(6-46)66-39)73-37-18(42-10(2)50)32(20(52)12(4-44)64-37)71-38-27(59)24(56)19(51)11(3-43)65-38/h11-40,43-48,51-62H,3-8H2,1-2H3,(H,41,49)(H,42,50)/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
- NSXKHTGRJJVIIM-MOPRWLCRSA-N
mass
- 1072.967
monoisotopicmass
- 1072.38060
smiles
- O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]5NC(=O)C)CO)[C@H]4O)CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- Gal(b1-3)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-Glc
- WURCS=2.0/3,6,5/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a4-b1_b3-c1_c4-d1_d3-e1_e3-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154503
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