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
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Formula C23H26N3O7
Net Charge -1
Average Mass 456.46840
Monoisotopic Mass 456.177
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 Waiting for Citations Type Source
20212112 PubMed citation SUBMITTER
Last Modified
10 June 2014