Concept information
...
organooxygen compound
carbohydrates and carbohydrate derivatives
carbohydrate derivative
amino sugar
Preferred term
n-[(3r,4r,5s,6r)-6-[[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-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(31)27-11-14(34)22(48-26-19(39)16(36)13(33)8(3-29)45-26)10(43-23(11)41)5-42-24-20(40)17(37)21(9(4-30)46-24)47-25-18(38)15(35)12(32)7(2-28)44-25/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20-,21-,22-,23?,24-,25+,26+/m1/s1
inchikey
- NKDXVGUGPOTQDO-WLKSUHKVSA-N
mass
- 707.632
monoisotopicmass
- 707.24841
smiles
- O([C@@H]1[C@H](OC(O)[C@H](NC(=O)C)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2O)CO)[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-gluco-hexopyranose
- Gal(b1-4)Glc(b1-6)[Gal(b1-4)]GlcNAc
- WURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5]/1-2-3-2/a4-b1_a6-c1_c4-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:146890
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