Concept information
Preferred term
n-[(2s,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,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-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
- C76H129N5O56
inchi
- InChI=1S/C76H129N5O56/c1-18(93)77-23(6-82)39(99)58(24(98)7-83)129-67-35(78-19(2)94)45(105)62(32(15-91)123-67)134-74-57(117)64(135-76-65(52(112)43(103)28(11-87)122-76)136-69-37(80-21(4)96)47(107)60(30(13-89)125-69)132-72-54(114)50(110)41(101)26(9-85)120-72)44(104)34(128-74)17-118-75-66(137-70-38(81-22(5)97)48(108)61(31(14-90)126-70)133-73-55(115)51(111)42(102)27(10-86)121-73)56(116)63(33(16-92)127-75)130-68-36(79-20(3)95)46(106)59(29(12-88)124-68)131-71-53(113)49(109)40(100)25(8-84)119-71/h23-76,82-92,98-117H,6-17H2,1-5H3,(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)/t23-,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-,71-,72-,73-,74-,75-,76+/m0/s1
inchikey
- DXQZSIXYURJMTA-DXFNXDEZSA-N
mass
- 2008.847
monoisotopicmass
- 2007.74002
smiles
- O([C@H]1[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]3O)CO)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H]1OC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]5CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@@H](O)[C@@H](O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O)CO)[C@H](O)[C@H]7NC(=O)C)CO)CO)[C@@H]4O)CO)[C@@H]9O[C@@H]([C@@H](O[C@@H]%10O[C@@H]([C@H](O)[C@H](O)[C@H]%10O)CO)[C@H](O)[C@H]9NC(=O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/5,11,10/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-4-2-5-2-5/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e4-f1_g2-h1_g4-j1_h4-i1_j4-k1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148708
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