Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r,6s)-6-[(2r,3s,4r,5r,6r)-5-acetamido-6-[(2r,3s,4r,5s)-5-acetamido-4-[(2r,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]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C42H73N3O30
inchi
- InChI=1S/C42H73N3O30/c1-11-23(55)29(61)32(64)40(67-11)75-37-30(62)26(58)18(7-48)69-42(37)72-34(15(5-46)43-12(2)51)24(56)16(54)10-66-38-22(45-14(4)53)28(60)35(19(8-49)70-38)74-41-33(65)31(63)36(20(9-50)71-41)73-39-21(44-13(3)52)27(59)25(57)17(6-47)68-39/h11,15-42,46-50,54-65H,5-10H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)/t11-,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-/m0/s1
inchikey
- BGKFPBAFPFMGNP-RSEUZKBNSA-N
mass
- 1100.037
monoisotopicmass
- 1099.42789
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]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@H]4O)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/5,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-4-2-5/a3-b1_a6-d1_b2-c1_d4-e1_e4-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150701
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