Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4s,5s,6r)-4-[(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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(2r,3r,4s,5s,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-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)24(55)26(57)38(62-9)70-32-18(42-11(3)49)37(67-16(8-47)31(32)69-39-27(58)25(56)20(51)12(4-43)64-39)72-34-22(53)14(6-45)65-40(29(34)60)68-30-15(7-46)66-36(17(23(30)54)41-10(2)48)71-33-21(52)13(5-44)63-35(61)28(33)59/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
- DTJYEUZOIHEXTM-UEQAYBIFSA-N
mass
- 1056.968
monoisotopicmass
- 1056.38569
smiles
- O1[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@H]4[C@@H](O)[C@H](O[C@@H](O)[C@@H]4O)CO)O[C@@H]([C@@H]2O)CO)[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
- WURCS=2.0/3,6,5/[a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-1-2-3-1/a3-b1_b4-c1_c3-d1_d3-e1_d4-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154343
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