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CHEBI:71337 - minocycline(1−)

ChEBI IDCHEBI:71337
ChEBI Nameminocycline(1−)
Stars
ASCII Nameminocycline(1-)
DefinitionAn 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.
Last Modified10 June 2014
SubmitterEugeni Belda
DownloadsMolfile
FormulaC23H26N3O7
Net Charge-1
Average Mass456.475
Monoisotopic Mass456.17762
SMILES[H][C@@]12Cc3c(N(C)C)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
InChIInChI=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
InChIKeyDYKFCLLONBREIL-KVUCHLLUSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 anionChEBI
Citations