Concept information
Preferred term
n-[(2s,3r,4r,5r,6r)-4,5-dihydroxy-2-[(2r,3r,4s,5r,6s)-4-hydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C26H45NO20
inchi
- InChI=1S/C26H45NO20/c1-6-12(32)15(35)18(38)25(41-6)47-22-19(39)21(45-24-11(27-7(2)31)14(34)13(33)8(3-28)43-24)10(5-30)44-26(22)46-20-9(4-29)42-23(40)17(37)16(20)36/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26-/m0/s1
inchikey
- FYMQDUNSNJEQKD-GMDQYKLDSA-N
mass
- 691.633
monoisotopicmass
- 691.25349
smiles
- O1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]1CO
subset
- 2_STAR
synonym RELATED
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose
- Fuc(a1-2)[GalNAc(b1-4)]Gal(b1-4)b-Glc
- WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b2-c1_b4-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154319
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