Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[[(2r,3r,4r,5r)-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-5,6-dihydroxy-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-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
- C40H68N2O31
inchi
- InChI=1S/C40H68N2O31/c1-9(48)41-17-22(53)31(70-38-27(58)24(55)19(50)11(3-43)65-38)14(6-46)68-36(17)63-8-16-33(72-40-29(60)26(57)21(52)13(5-45)67-40)34(30(61)35(62)64-16)73-37-18(42-10(2)49)23(54)32(15(7-47)69-37)71-39-28(59)25(56)20(51)12(4-44)66-39/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
- PWRHNQVXAMTKES-QRWBCRAASA-N
mass
- 1072.967
monoisotopicmass
- 1072.38060
smiles
- O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](OC(O)[C@@H]1O)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]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
- beta-D-galacto-hexopyranosyl-(1->4)-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->6)][beta-D-galacto-hexopyranosyl-(1->4)]-D-gluco-hexopyranose
- Gal(b1-4)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)][Gal(b1-4)]Glc
- WURCS=2.0/3,6,5/[a2122h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-3-2-3/a3-b1_a4-d1_a6-e1_b4-c1_e4-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149059
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