Concept information
...
chalcogen molecular entity
oxygen molecular entity
organooxygen compound
carbohydrates and carbohydrate derivatives
Preferred term
n-[(2s,3r,4r,5s,6r)-2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4s,5r)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C70H119N5O51
inchi
- InChI=1S/C70H119N5O51/c1-17(87)71-22(6-76)53(37(93)23(92)7-77)118-67-49(105)58(39(95)25(9-79)110-67)123-63-34(73-19(3)89)44(100)55(30(14-84)115-63)120-69-51(107)60(41(97)27(11-81)112-69)125-65-36(75-21(5)91)46(102)57(32(16-86)117-65)122-70-52(108)61(42(98)28(12-82)113-70)126-64-35(74-20(4)90)45(101)56(31(15-85)116-64)121-68-50(106)59(40(96)26(10-80)111-68)124-62-33(72-18(2)88)43(99)54(29(13-83)114-62)119-66-48(104)47(103)38(94)24(8-78)109-66/h22-70,76-86,92-108H,6-16H2,1-5H3,(H,71,87)(H,72,88)(H,73,89)(H,74,90)(H,75,91)/t22-,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-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
inchikey
- QUXDSNOKPCROMG-NVHZNYJSSA-N
mass
- 1846.706
monoisotopicmass
- 1845.68719
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]3[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]4CO)O[C@H]5[C@@H](O)[C@H](O[C@@H](O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]5O)CO)O[C@@H]([C@@H]3O)CO)O[C@@H]2CO)O[C@@H]([C@@H]1O)CO)[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@@H]([C@H](O)[C@H](O[C@@H]8O[C@@H]([C@@H](O[C@@H]9O[C@@H]([C@H](O)[C@H](O)[C@H]9O)CO)[C@H](O)[C@H]8NC(=O)C)CO)[C@H]7O)CO)[C@H](O)[C@H]6NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,10,9/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2-3-2-3-2/a3-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:157477
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