Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C40H70N2O30
inchi
- InChI=1S/C40H70N2O30/c1-10-20(51)27(58)30(61)37(64-10)72-35-33(70-39-34(29(60)24(55)17(7-46)67-39)71-38-31(62)28(59)23(54)16(6-45)66-38)25(56)18(8-47)68-40(35)69-32(13(4-43)41-11(2)48)21(52)14(50)9-63-36-19(42-12(3)49)26(57)22(53)15(5-44)65-36/h10,13-40,43-47,50-62H,4-9H2,1-3H3,(H,41,48)(H,42,49)/t10-,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
- FEOXJKZHCHHHFO-CKCUAUSZSA-N
mass
- 1058.984
monoisotopicmass
- 1058.40134
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]([C@@H]1O)CO)O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/5,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-5/a3-b1_a6-f1_b2-c1_b3-d1_d2-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150450
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