Concept information
Preferred term
n-[(2s,3r,4r,5s,6r)-6-(hydroxymethyl)-2-[(2r,3r,4r,5r)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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
- C26H47NO20
inchi
- InChI=1S/C26H47NO20/c1-7-14(35)17(38)19(40)25(42-7)47-23-13(27-8(2)32)24(45-21(10(34)4-29)15(36)9(33)3-28)44-12(6-31)22(23)46-26-20(41)18(39)16(37)11(5-30)43-26/h7,9-26,28-31,33-41H,3-6H2,1-2H3,(H,27,32)/t7-,9+,10+,11+,12+,13+,14+,15+,16-,17+,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1
inchikey
- SEJVJIPCHYABTR-CRCGJWPASA-N
mass
- 693.649
monoisotopicmass
- 693.26914
smiles
- O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)[C@@H]1O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/4,4,3/[h1122h][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4/a4-b1_b3-c1_b4-d1
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:154228
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