Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-4-[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-5-[(2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C40H70N2O29
inchi
- InChI=1S/C40H70N2O29/c1-10-20(50)26(56)30(60)37(63-10)70-34-28(58)23(53)16(6-44)65-39(34)68-32(14(5-43)41-12(3)47)22(52)15(49)9-62-36-19(42-13(4)48)25(55)33(18(8-46)67-36)69-40-35(29(59)24(54)17(7-45)66-40)71-38-31(61)27(57)21(51)11(2)64-38/h10-11,14-40,43-46,49-61H,5-9H2,1-4H3,(H,41,47)(H,42,48)/t10-,11-,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-/m0/s1
inchikey
- WFALAOXADQYYIF-MTBZKZAUSA-N
mass
- 1042.985
monoisotopicmass
- 1042.40642
smiles
- O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)CO)[C@@H](NC(=O)C)CO)[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-3/a3-b1_a6-d1_b2-c1_d4-e1_e2-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:155205
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