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,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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)22(48)25(51)32(55-9)60-29-16(7-40)58-31(17(36-11(3)42)30(29)61-34-27(53)24(50)21(47)15(6-39)57-34)54-8-13(43)19(45)28(12(4-37)35-10(2)41)59-33-26(52)23(49)20(46)14(5-38)56-33/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
- VTEUDGCEOOIVIL-BNIXGXQBSA-N
mass
- 896.843
monoisotopicmass
- 896.34852
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](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@@H](NC(=O)C)CO)[C@@H]1NC(=O)C)CO)[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4/a3-b1_a6-c1_c3-d1_c4-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148085
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