Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2s,3r,4s,5r)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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)35-17-23(50)21(48)16(8-55-33-26(53)25(52)20(47)13(5-39)56-33)59-31(17)62-30-22(49)14(6-40)57-34(27(30)54)61-29-15(7-41)58-32(18(24(29)51)36-10(2)43)60-28(12(45)4-38)19(46)11(44)3-37/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+/m1/s1
inchikey
- LUZGECAZVUOWIE-IJNYNKPBSA-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](O)CO)[C@@H](O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO[C@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]2O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,5,4/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-2-4/a3-b1_b4-c1_c3-d1_d6-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:155143
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