Term: | tigecycline(1+) |
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Accession: | CHEBI:142708
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Definition: | An ammonium ion that is the conjugate acid of tigecycline; major species at pH 7.3. |
Synonyms: | exact_synonym: | (1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate |
| related_synonym: | Formula=C29H40N5O8; InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/p+1/t12-,14-,21-,29-/m0/s1; InChIKey=FPZLLRFZJZRHSY-HJYUBDRYSA-O; SMILES=C1(C(=C([C@H]([C@@]2(C[C@@]3(CC4=C(C=C(C(=C4C(C3=C([C@]12O)O)=O)O)NC(C[NH2+]C(C)(C)C)=O)N(C)C)[H])[H])[NH+](C)C)[O-])C(=O)N)=O; tigecycline |
| xref: | MetaCyc:CPD-19260; PMID:16128584 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:149836 |
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