Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-2,3,6-trihydroxy-4-[(2r,3r,4s,5s,6r)-5-hydroxy-6-(hydroxymethyl)-4-[(2s,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]oxyhexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C34H60N2O25
inchi
- InChI=1S/C34H60N2O25/c1-9-18(44)24(50)26(52)32(55-9)61-30-29(60-33-27(53)25(51)21(47)15(6-39)57-33)22(48)16(7-40)58-34(30)59-28(12(4-37)35-10(2)41)19(45)13(43)8-54-31-17(36-11(3)42)23(49)20(46)14(5-38)56-31/h9,12-34,37-40,43-53H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,29-,30+,31+,32-,33-,34-/m0/s1
inchikey
- ZXRTURZODOZXIW-KHULTVDSSA-N
mass
- 896.843
monoisotopicmass
- 896.34852
smiles
- O1[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@@H](O)[C@H]1CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-4/a3-b1_a6-e1_b2-c1_b3-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149206
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