Concept information
اصطلاح مرجح
[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4r,5s)-5-acetamido-2,6-dihydroxy-1-sulfooxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C34H60N2O31S2
اینچی
- InChI=1S/C34H60N2O31S2/c1-9-18(43)22(47)24(49)32(60-9)64-27(12(4-37)35-10(2)40)28(13(42)7-58-68(52,53)54)65-34-26(51)30(20(45)15(6-39)62-34)67-31-17(36-11(3)41)21(46)29(16(63-31)8-59-69(55,56)57)66-33-25(50)23(48)19(44)14(5-38)61-33/h9,12-34,37-39,42-51H,4-8H2,1-3H3,(H,35,40)(H,36,41)(H,52,53,54)(H,55,56,57)/t9-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30-,31-,32-,33-,34-/m0/s1
اینچیکی
- GDUHYIXXFCBRAT-XIAUKHJSSA-N
جرم
- 1056.960
جرم تکایزوتوپی
- 1056.26215
اسمایلٓ
- S(OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]([C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)CO)[C@H](O)COS(O)(=O)=O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)(O)(=O)=O
زیرمجموعه
- 2_STAR
مترادف مرتبط
- WURCS=2.0/4,5,4/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1a_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-4-3/a3-b1_a4-c1_c3-d1_d4-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:146941
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