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]-3,4,5-trihydroxyoxan-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
- C50H86N4O36
inchi
- InChI=1S/C50H86N4O36/c1-13(61)51-17(5-55)28(66)41(18(65)6-56)87-47-27(54-16(4)64)35(73)42(21(9-59)83-47)89-50-40(78)44(90-49-39(77)37(75)43(22(10-60)84-49)88-46-26(53-15(3)63)34(72)30(68)20(8-58)82-46)32(70)24(86-50)12-80-48-38(76)36(74)31(69)23(85-48)11-79-45-25(52-14(2)62)33(71)29(67)19(7-57)81-45/h17-50,55-60,65-78H,5-12H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t17-,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
- FALCVQANGTWQMK-SYKXKTKASA-N
mass
- 1319.230
monoisotopicmass
- 1318.50218
smiles
- O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)O[C@@H]([C@H]1O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6NC(=O)C)CO)[C@H](O)[C@@H]5O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,7,6/[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/a4-b1_b4-c1_c3-d1_c6-f1_d4-e1_f6-g1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:155695
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