Concept information
Preferred term
n-[(2s,3r,4r,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-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]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C44H75NO34
inchi
- InChI=1S/C44H75NO34/c1-9-18(52)23(57)28(62)40(67-9)75-33-16(8-50)73-39(77-35-21(55)13(5-47)71-43(31(35)65)74-32-15(7-49)69-38(66)27(61)26(32)60)17(45-11(3)51)34(33)76-44-37(79-41-29(63)24(58)19(53)10(2)68-41)36(22(56)14(6-48)72-44)78-42-30(64)25(59)20(54)12(4-46)70-42/h9-10,12-44,46-50,52-66H,4-8H2,1-3H3,(H,45,51)/t9-,10-,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-,41-,42+,43-,44-/m0/s1
inchikey
- HTYKNTQYWYLQNZ-DOOYLLGWSA-N
mass
- 1162.057
monoisotopicmass
- 1161.41705
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](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)[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->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
- Fuc(a1-2)[Gal(a1-3)]Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)Gal(b1-4)Glc
- WURCS=2.0/5,7,6/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1a_1-5]/1-2-3-2-4-5-4/a4-b1_b3-c1_c3-d1_c4-g1_d2-e1_d3-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150389
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