Concept information
اصطلاح مرجح
(2r,4s,5r,6r)-5-acetamido-2-[[(2r,3r,4s,5r,6s)-6-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5s)-5-acetamido-2,4,6-trihydroxy-1-sulfooxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
نوع
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
مفهوم اعم
بار
- 0
فرمول
- C39H67N3O35S2
اینچی
- InChI=1S/C39H67N3O35S2/c1-11(46)40-14(5-43)23(52)31(17(51)8-69-78(62,63)64)74-37-30(59)34(26(55)18(7-45)71-37)76-35-22(42-13(3)48)27(56)32(20(73-35)10-70-79(65,66)67)75-36-29(58)28(57)25(54)19(72-36)9-68-39(38(60)61)4-15(49)21(41-12(2)47)33(77-39)24(53)16(50)6-44/h14-37,43-45,49-59H,4-10H2,1-3H3,(H,40,46)(H,41,47)(H,42,48)(H,60,61)(H,62,63,64)(H,65,66,67)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,39+/m0/s1
اینچیکی
- XYVLSUNPQSJQQF-LYUASVACSA-N
جرم
- 1202.070
جرم تکایزوتوپی
- 1201.29965
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)CO[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(O)=O)(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][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b3-c1_c4-d1_d6-e2
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:150333
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