Concept information
Preferred term
n-[(2r,3r,4r,5s,6r)-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-6-(hydroxymethyl)-2-[(2r,3s,4r,5s)-2,3,4,5,6-pentahydroxyhexoxy]-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C32H57NO24
inchi
- InChI=1S/C32H57NO24/c1-8-16(40)21(45)24(48)30(51-8)56-27-15(33-10(3)37)29(50-7-12(39)19(43)18(42)11(38)4-34)54-14(6-36)26(27)55-32-28(23(47)20(44)13(5-35)53-32)57-31-25(49)22(46)17(41)9(2)52-31/h8-9,11-32,34-36,38-49H,4-7H2,1-3H3,(H,33,37)/t8-,9-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23-,24-,25-,26+,27+,28+,29+,30-,31-,32-/m0/s1
inchikey
- GADMIOKNYHBETC-HZXINBCASA-N
mass
- 839.791
monoisotopicmass
- 839.32705
smiles
- O([C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@H]([C@@H](O)[C@@H](O)[C@@H]4O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,5,4/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-3/a6-b1_b3-c1_b4-d1_d2-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150695
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