Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[[(2r,3s,4s,5s,6s)-6-[[(2r,3r,4s,5s,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2r,3s,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C58H99N5O41
inchi
- InChI=1S/C58H99N5O41/c1-15(71)59-20(6-64)33(77)47(21(76)7-65)100-55-32(63-19(5)75)42(86)48(25(11-69)96-55)102-57-46(90)50(103-56-45(89)44(88)49(26(12-70)97-56)101-53-30(61-17(3)73)40(84)35(79)23(9-67)94-53)38(82)28(98-57)14-92-58-51(104-54-31(62-18(4)74)41(85)36(80)24(10-68)95-54)43(87)37(81)27(99-58)13-91-52-29(60-16(2)72)39(83)34(78)22(8-66)93-52/h20-58,64-70,76-90H,6-14H2,1-5H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+,45-,46-,47+,48+,49+,50-,51-,52+,53-,54-,55-,56+,57-,58-/m0/s1
inchikey
- ILRYSXOBZDJHOX-WSQHYNABSA-N
mass
- 1522.424
monoisotopicmass
- 1521.58155
smiles
- O1[C@@H]([C@@H](O)[C@H](O[C@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@H](O)[C@@H]2O)CO)[C@H](O)[C@@H]1O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)CO[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6NC(=O)C)CO)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,8,7/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-4-2-2/a4-b1_b4-c1_c3-d1_c6-f1_d4-e1_f2-g1_f6-h1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:151943
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