Concept information
Preferred term
n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-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
- C28H48N2O21
inchi
- InChI=1S/C28H48N2O21/c1-7(35)29-13-17(39)15(37)9(3-31)46-26(13)49-23-12(6-34)48-28(20(42)19(23)41)50-22-11(5-33)47-27(14(18(22)40)30-8(2)36)51-24-16(38)10(4-32)45-25(44)21(24)43/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-,21-,22-,23+,24+,25?,26+,27+,28+/m1/s1
inchikey
- WUYKTHWGUXSCHY-WMMQEDGUSA-N
mass
- 748.685
monoisotopicmass
- 748.27496
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](OC(O)[C@@H]2O)CO)[C@@H]3O[C@@H]([C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H](O)[C@H]3O)CO
subset
- 2_STAR
synonym RELATED
- 2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose
- GalNAc(b1-4)Gal(b1-4)GlcNAc(b1-3)Gal
- WURCS=2.0/4,4,3/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_b4-c1_c4-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:153855
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