Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-4-[(2r,3r,4s,5s,6r)-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[(2r,3r,4r,5r)-4,5,6-trihydroxy-2-[[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C44H75NO33
inchi
- InChI=1S/C44H75NO33/c1-9-18(50)23(55)29(61)40(67-9)66-8-16-33(27(59)28(60)38(65)70-16)74-39-17(45-12(4)49)35(34(15(7-48)73-39)75-41-30(62)24(56)19(51)10(2)68-41)76-44-37(78-42-31(63)25(57)20(52)11(3)69-42)36(22(54)14(6-47)72-44)77-43-32(64)26(58)21(53)13(5-46)71-43/h9-11,13-44,46-48,50-65H,5-8H2,1-4H3,(H,45,49)/t9-,10-,11-,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+,41-,42-,43+,44-/m0/s1
inchikey
- SZOFRDHWHCTDLB-FNOSPRCBSA-N
mass
- 1146.058
monoisotopicmass
- 1145.42213
smiles
- O([C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@H](O[C@@H](O[C@H]3[C@H](OC(O)[C@H](O)[C@H]3O)CO[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)[C@@H]1NC(=O)C)CO)[C@@H]5O[C@@H]([C@H](O)[C@H](O[C@H]6O[C@@H]([C@H](O)[C@H](O)[C@H]6O)CO)[C@H]5O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)CO
subset
- 2_STAR
synonym RELATED
- 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-D-galacto-hexopyranose
- Fuc(a1-2)[Gal(a1-3)]Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-4)[Fuc(a1-6)]Gal
- WURCS=2.0/5,7,6/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-4-5-4-4/a4-b1_a6-g1_b3-c1_b4-f1_c2-d1_c3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154172
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