CHEBI:71337 - minocycline(1−)

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ChEBI Name minocycline(1−) ChEBI ID CHEBI:71337 ChEBI ASCII Name minocycline(1-) Definition An organic anion that is the conjugate base of minocycline, obtained by deprotonation of the two enolic hydroxy groups and protonation of the non-aromatic tertiary amino group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Eugeni Belda Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H26N3O7 Net Charge -1 Average Mass 456.46840 Monoisotopic Mass 456.17762 InChI InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/p-1/t9-,11-,17-,23-/m0/s1 InChIKey DYKFCLLONBREIL-KVUCHLLUSA-M SMILES [H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2)N(C)C ChEBI Ontology Outgoing minocycline(1−) (CHEBI:71337) is a organic anion (CHEBI:25696) minocycline(1−) (CHEBI:71337) is conjugate base of minocycline (CHEBI:50694) minocycline(1−) (CHEBI:71337) is conjugate base of minocycline zwitterion (CHEBI:77906) Incoming minocycline (CHEBI:50694) is conjugate acid of minocycline(1−) (CHEBI:71337) minocycline zwitterion (CHEBI:77906) is conjugate acid of minocycline(1−) (CHEBI:71337) IUPAC Name (1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate Synonym Source minocycline anion ChEBI Citation Type Source 20212112 PubMed citation SUBMITTER Last Modified 10 June 2014