Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4s,5s,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H45NO21
inchi
- InChI=1S/C26H45NO21/c1-6(32)27-11-15(36)20(10(5-31)45-24(11)47-21-13(34)8(3-29)42-23(41)18(21)39)46-26-19(40)22(14(35)9(4-30)44-26)48-25-17(38)16(37)12(33)7(2-28)43-25/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16+,17-,18-,19-,20-,21+,22+,23?,24+,25-,26+/m1/s1
inchikey
- ONMQONOIGVTIDF-HINHQUDCSA-N
mass
- 707.632
monoisotopicmass
- 707.24841
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](O[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)CO
subset
- 2_STAR
synonym RELATED
- alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose
- Gal(a1-3)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-1a_1-5]/1-2-3-4/a3-b1_b4-c1_c3-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:146868
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