Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[[(2r,3s,4s,5s,6s)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2r,3r,4s,5s)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-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
- C60H101N3O46
inchi
- InChI=1S/C60H101N3O46/c1-13(71)61-25-34(80)46(104-56-42(88)37(83)28(74)16(4-64)96-56)20(8-68)100-53(25)93-11-23-32(78)41(87)50(108-54-26(62-14(2)72)35(81)47(21(9-69)101-54)105-57-43(89)38(84)29(75)17(5-65)97-57)59(103-23)94-12-24-33(79)49(45(91)52(92)95-24)107-60-51(40(86)31(77)19(7-67)99-60)109-55-27(63-15(3)73)36(82)48(22(10-70)102-55)106-58-44(90)39(85)30(76)18(6-66)98-58/h16-60,64-70,74-92H,4-12H2,1-3H3,(H,61,71)(H,62,72)(H,63,73)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45+,46-,47-,48-,49+,50+,51+,52?,53-,54+,55+,56+,57+,58+,59+,60-/m1/s1
inchikey
- QIKMIAQTXUZSQA-WEAFARBCSA-N
mass
- 1600.443
monoisotopicmass
- 1599.56562
smiles
- O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC[C@H]2OC(O)[C@@H](O)[C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4NC(=O)C)CO)CO)[C@@H]2O)CO[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO)[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-D-manno-hexopyranose
- Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man
- WURCS=2.0/4,9,8/[a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-4-2-3-4-3-4/a3-b1_a6-e1_b2-c1_c4-d1_e2-f1_e6-h1_f4-g1_h4-i1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:147552
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