Concept information
Preferred term
(2R,4S,5R,6R) 5 استامیدو 2 [(,3S,4R,5S) 4 [(,3R,,,) [(2S,,,,) 3 [(,,,6Rox) (هیدروکسی متیل) [(,,,,6S) ,, تری 6 متیلوکسان یل] اکسی اکسان ] ( ) ] ، دی ( ] ( ) [(1R,) 1,, پروپیل] کربوکسیلیک اسید
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C45H77N3O33
inchi
- InChI=1S/C45H77N3O33/c1-12-25(60)30(65)33(68)41(73-12)80-39-31(66)28(63)20(8-51)74-43(39)79-36-21(9-52)75-40(24(29(36)64)48-15(4)56)78-37-22(10-53)76-42(34(69)32(37)67)77-35(16(6-49)46-13(2)54)27(62)19(59)11-72-45(44(70)71)5-17(57)23(47-14(3)55)38(81-45)26(61)18(58)7-50/h12,16-43,49-53,57-69H,5-11H2,1-4H3,(H,46,54)(H,47,55)(H,48,56)(H,70,71)/t12-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,32+,33-,34+,35+,36+,37-,38+,39+,40-,41-,42-,43-,45+/m0/s1
inchikey
- DLQJDYJRJMDGPC-ZTSJLRECSA-N
mass
- 1188.099
monoisotopicmass
- 1187.44393
smiles
- O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]([C@@H](O)[C@H](O)CO[C@]3(O[C@H]([C@H](NC(=O)C)[C@@H](O)C3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](NC(=O)C)CO)[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO
subset
- 2_STAR
synonym RELATED
- WURCS=2.0/5,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4-5/a3-b1_a6-f2_b4-c1_c4-d1_d2-e1
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:153168
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