Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5s)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-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(45)23(50)25(52)32(54-9)61-30-24(51)20(47)14(6-39)57-34(30)59-28-17(36-11(3)43)31(55-15(7-40)21(28)48)60-29-22(49)16(8-41)56-33(26(29)53)58-27(13(44)5-38)19(46)12(4-37)35-10(2)42/h9,12-34,37-41,44-53H,4-8H2,1-3H3,(H,35,42)(H,36,43)/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
- OOEFMTYQLOKKPN-SROQIPKJSA-N
mass
- 896.843
monoisotopicmass
- 896.34852
smiles
- O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@@H]2O)CO)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)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/a4-b1_b3-c1_c3-d1_d2-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:147788
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