Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2r,3r,4r,5s)-4-[(2r,3s,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-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)49-22-11(5-33)48-28(20(42)19(22)41)51-24-21(43)25(44)45-12(6-34)23(24)50-27-14(30-8(2)36)18(40)16(38)10(4-32)47-27/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
- ZSQISDMKWLBSNP-GJXLBCRWSA-N
mass
- 748.685
monoisotopicmass
- 748.27496
smiles
- O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)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]4NC(=O)C)CO)[C@H](O)[C@@H]3O)CO
subset
- 2_STAR
synonym RELATED
- 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-D-manno-hexopyranose
- GlcNAc(b1-4)Man(a1-3)[GlcNAc(b1-4)]Man
- WURCS=2.0/3,4,3/[a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3/a3-b1_a4-d1_b4-c1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148428
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