Concept information
Preferred term
n-[(2s,3r,4s,5r)-4-[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-4,5-dihydroxy-3-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-[[(2s,3s,4s,5r,6r)-3,5-dihydroxy-4-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-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
- C50H87NO41
inchi
- InChI=1S/C50H87NO41/c1-11(58)51-12(2-52)21(60)40(13(59)3-53)89-49-39(78)42(91-50-43(92-48-37(76)32(71)25(64)17(7-57)85-48)33(72)26(65)18(88-50)8-79-44-34(73)29(68)22(61)14(4-54)82-44)28(67)20(87-49)10-81-46-38(77)41(90-47-36(75)31(70)24(63)16(6-56)84-47)27(66)19(86-46)9-80-45-35(74)30(69)23(62)15(5-55)83-45/h12-50,52-57,59-78H,2-10H2,1H3,(H,51,58)/t12-,13+,14+,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+/m0/s1
inchikey
- XJCNIBDATXZJPI-IKODFHANSA-N
mass
- 1358.212
monoisotopicmass
- 1357.47535
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)CO)[C@@H]2O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)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)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,8,7/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3-3-3/a4-b1_b3-c1_b6-f1_c2-d1_c6-e1_f3-g1_f6-h1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:147976
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