Concept information
Preferred term
n-[(2s,3r,4s,5r)-4-[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5r,6r)-4-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C62H107NO51
inchi
- InChI=1S/C62H107NO51/c1-13(73)63-14(2-64)25(75)47(15(74)3-65)108-58-46(96)49(110-61-53(41(91)32(82)21(9-71)104-61)114-62-52(40(90)31(81)22(10-72)105-62)113-57-44(94)37(87)28(78)18(6-68)101-57)34(84)24(107-58)11-97-54-45(95)48(109-60-51(39(89)30(80)20(8-70)103-60)112-56-43(93)36(86)27(77)17(5-67)100-56)33(83)23(106-54)12-98-59-50(38(88)29(79)19(7-69)102-59)111-55-42(92)35(85)26(76)16(4-66)99-55/h14-62,64-72,74-96H,2-12H2,1H3,(H,63,73)/t14-,15+,16+,17+,18+,19+,20+,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-,59-,60+,61+,62+/m0/s1
inchikey
- YKCBCGNGVISAAG-AEVYWGJASA-N
mass
- 1682.494
monoisotopicmass
- 1681.58100
smiles
- O([C@H]1[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]1O)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]3O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)CO)[C@@H]2O)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]6O)CO)CO)[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O)CO)CO)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,10,9/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3-3-3-3-3/a4-b1_b3-c1_b6-f1_c2-d1_d2-e1_f3-g1_f6-i1_g2-h1_i2-j1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148582
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