Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-[(2s,3s,4s,5s,6r)-6-[[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C34H60N2O26
inchi
- InChI=1S/C34H60N2O26/c1-9(42)35-11(3-37)18(45)28(12(44)4-38)60-31-17(36-10(2)43)22(49)29(15(7-41)58-31)61-34-26(53)24(51)20(47)16(59-34)8-55-32-27(54)30(21(48)14(6-40)56-32)62-33-25(52)23(50)19(46)13(5-39)57-33/h11-34,37-41,44-54H,3-8H2,1-2H3,(H,35,42)(H,36,43)/t11-,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
- NYLPTTOVPNEDTI-YONMKSMASA-N
mass
- 912.842
monoisotopicmass
- 912.34343
smiles
- O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@@H]3O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,5,4/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4/a4-b1_b4-c1_c6-d1_d3-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:147949
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