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Concept information

Preferred term

alpha-d-kdo-(2->8)-alpha-d-kdo-(2->4)-alpha-d-kdo-(2->6)-beta-d-glcnac-4p-(1->6)-alpha-d-glcnac  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C40H65N2O35P

has_role

inchi

  • InChI=1S/C40H65N2O35P/c1-11(45)41-21-27(56)25(54)19(71-33(21)58)9-68-34-22(42-12(2)46)28(57)32(77-78(65,66)67)20(72-34)10-70-39(36(61)62)5-18(26(55)30(75-39)16(50)7-44)73-40(37(63)64)4-14(48)24(53)31(76-40)17(51)8-69-38(35(59)60)3-13(47)23(52)29(74-38)15(49)6-43/h13-34,43-44,47-58H,3-10H2,1-2H3,(H,41,45)(H,42,46)(H,59,60)(H,61,62)(H,63,64)(H2,65,66,67)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34-,38-,39-,40-/m1/s1

inchikey

  • FXNWSVWYSNMUGI-HDORSMDSSA-N

mass

  • 1164.91030

monoisotopicmass

  • 1164.31055

smiles

  • [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OC[C@@H](O)[C@@]1([H])O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](OC[C@H]3O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2OP(O)(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)C(O)=O)[C@H](O)CO

subset

  • 3_STAR

synonym EXACT

  • 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->8)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-acetamido-2-deoxy-1-alpha-D-glucopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60380

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