Concept information
Preferred term
n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-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(49)27(55)28(56)35(57-10)64-32-31(63-33-19(38-12(3)46)25(53)23(51)16(7-42)58-33)24(52)17(8-43)59-36(32)62-30-18(9-44)60-34(20(26(30)54)39-13(4)47)61-29(22(50)15(48)6-41)14(5-40)37-11(2)45/h10,14-36,40-44,48-56H,5-9H2,1-4H3,(H,37,45)(H,38,46)(H,39,47)/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
- DOIHHBJGKBBRPI-ZVKQGPQFSA-N
mass
- 937.896
monoisotopicmass
- 937.37506
smiles
- O([C@@H]1O[C@@H]([C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H]1O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/5,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_b4-c1_c2-d1_c3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:149339
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