Concept information
Preferred term
n-[(2s,3r,4s,5r)-4-[(2s,3s,4s,5r,6r)-4-[(2r,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2s,3s,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C38H67NO31
inchi
- InChI=1S/C38H67NO31/c1-9(46)39-10(2-40)17(48)30(11(47)3-41)67-37-29(60)32(69-38-33(25(56)20(51)14(6-44)65-38)70-36-27(58)24(55)19(50)13(5-43)64-36)22(53)16(66-37)8-61-34-28(59)31(21(52)15(7-45)62-34)68-35-26(57)23(54)18(49)12(4-42)63-35/h10-38,40-45,47-60H,2-8H2,1H3,(H,39,46)/t10-,11+,12+,13+,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+/m0/s1
inchikey
- BFNKYPZNQCUBNH-GJDHSHJMSA-N
mass
- 1033.930
monoisotopicmass
- 1033.36970
smiles
- O([C@H]1[C@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@H]1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO)[C@@H]2O)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)CO)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/3,6,5/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3/a4-b1_b3-c1_b6-e1_c2-d1_e3-f1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150539
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