Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(3s,4s,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-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
- C40H68N2O30
inchi
- InChI=1S/C40H68N2O30/c1-9-19(50)23(54)26(57)38(62-9)71-33-18(42-11(3)49)37(67-16(8-47)32(33)70-40-28(59)25(56)21(52)13(5-44)65-40)68-31-14(6-45)63-35(61)34(29(31)60)72-36-17(41-10(2)48)22(53)30(15(7-46)66-36)69-39-27(58)24(55)20(51)12(4-43)64-39/h9,12-40,43-47,50-61H,4-8H2,1-3H3,(H,41,48)(H,42,49)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26-,27+,28+,29-,30+,31+,32+,33+,34-,35?,36-,37-,38-,39-,40-/m0/s1
inchikey
- GKKBXLQSMRFXAR-LMMQOESRSA-N
mass
- 1056.968
monoisotopicmass
- 1056.38569
smiles
- O1[C@@H](O[C@H]2[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3NC(=O)C)CO)C(O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)[C@H](O[C@@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]1CO
subset
- 2_STAR
synonym RELATED
- beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-D-manno-hexopyranose
- Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)]Man
- WURCS=2.0/4,6,5/[a1122h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-2-4-3/a2-b1_a4-d1_b4-c1_d3-e1_d4-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:155012
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