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,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-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
- C36H63N3O25
inchi
- InChI=1S/C36H63N3O25/c1-10-21(48)28(55)29(56)35(58-10)64-32-31(63-34-20(39-13(4)46)27(54)24(51)17(7-42)60-34)25(52)18(8-43)61-36(32)62-30(14(5-40)37-11(2)44)22(49)15(47)9-57-33-19(38-12(3)45)26(53)23(50)16(6-41)59-33/h10,14-36,40-43,47-56H,5-9H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t10-,14-,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-/m0/s1
inchikey
- DSQCBARLMIFVIT-DKRJDONXSA-N
mass
- 937.896
monoisotopicmass
- 937.37506
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]4NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/5,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-e1_b2-c1_b3-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:155771
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