Concept information
Preferred term
n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-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
- C26H45NO21
inchi
- InChI=1S/C26H45NO21/c1-6(32)27-11-15(36)12(33)7(2-28)43-24(11)47-21-13(34)8(3-29)45-26(18(21)39)48-22-14(35)9(4-30)44-25(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/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
- JKLDBCXMKBCUOI-JTUZZPPNSA-N
mass
- 707.632
monoisotopicmass
- 707.24841
smiles
- O([C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@H]2[C@H](O)[C@@H](O)C(O[C@@H]2CO)O)[C@H]3O[C@@H]([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]3O)CO
subset
- 2_STAR
synonym RELATED
- 2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
- GalNAc(b1-3)Gal(a1-3)Gal(b1-4)Glc
- WURCS=2.0/4,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b3-c1_c3-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148232
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