Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-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)21(47-25-19(39)15(35)12(32)7(2-28)44-25)9(4-30)45-24(11)42-5-10-13(33)16(36)20(40)26(46-10)48-22-8(3-29)43-23(41)18(38)17(22)37/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
- GPEXRFHAPUWJDN-WLKSUHKVSA-N
mass
- 707.632
monoisotopicmass
- 707.24841
smiles
- O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](NC(=O)C)[C@@H]1OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)[C@H](O)[C@@H](O)[C@H]3O)CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
- Gal(b1-4)GlcNAc(b1-6)Gal(b1-4)Glc
- WURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b6-c1_c4-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148127
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