Concept information
Preferred term
n-[(2s,3r,4r,5r,6r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-2-[(2r,3r,4s,5s,6r)-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-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-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
- C34H58N2O26
inchi
- InChI=1S/C34H58N2O26/c1-8(42)35-15-21(48)17(44)10(3-37)55-31(15)60-27-16(36-9(2)43)32(56-11(4-38)18(27)45)61-28-19(46)12(5-39)58-34(24(28)51)62-29-20(47)13(6-40)57-33(25(29)52)59-26-14(7-41)54-30(53)23(50)22(26)49/h10-34,37-41,44-53H,3-7H2,1-2H3,(H,35,42)(H,36,43)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1
inchikey
- ZMUJEZDWGFHNDB-OUVVIZGESA-N
mass
- 910.826
monoisotopicmass
- 910.32778
smiles
- O([C@@H]1[C@@H](O)[C@@H](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)O[C@@H]([C@@H]1O)CO)[C@@H]4O[C@@H]([C@H](O)[C@H](O[C@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H]4NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- 2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- GalNAc(a1-3)GalNAc(b1-3)Gal(a1-3)Gal(b1-4)b-Glc
- WURCS=2.0/5,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a4-b1_b3-c1_c3-d1_d3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:152016
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