Concept information
اصطلاح مرجح
[(2r,3s,4r,5s)-5-acetamido-3-[(2s,3r,4s,5s,6r)-4-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C28H50N2O30S3
اینچی
- InChI=1S/C28H50N2O30S3/c1-8(33)29-10(3-31)16(36)23(11(35)5-52-61(43,44)45)58-28-22(42)25(18(38)12(4-32)55-28)60-26-15(30-9(2)34)19(39)24(14(57-26)7-54-63(49,50)51)59-27-21(41)20(40)17(37)13(56-27)6-53-62(46,47)48/h10-28,31-32,35-42H,3-7H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11+,12+,13+,14+,15+,16+,17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,28-/m0/s1
اینچیکی
- DKWXNKIZPGGLKL-ITKYWCSTSA-N
جرم
- 990.870
جرم تکایزوتوپی
- 990.16105
اسمایلٓ
- S(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)COS(O)(=O)=O)[C@@H]2O)CO)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)COS(O)(=O)=O)(O)(=O)=O
زیرمجموعه
- 2_STAR
مترادف مرتبط
- WURCS=2.0/4,4,3/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3-4/a4-b1_b3-c1_c4-d1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:148991
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