CHEBI:50694 - minocycline

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ChEBI Name minocycline
ChEBI ID CHEBI:50694
Definition A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44053, CHEBI:6939
Supplier Information
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Formula C23H27N3O7
Net Charge 0
Average Mass 457.47650
Monoisotopic Mass 457.185
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)/t9-,11-,17-,23-/m0/s1
InChIKey DYKFCLLONBREIL-KVUCHLLUSA-N
SMILES [H][C@@]12Cc3c(ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via tetracyclines )
(via tetracenomycin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via tetracenomycin )
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing minocycline (CHEBI:50694) has role Escherichia coli metabolite (CHEBI:76971)
minocycline (CHEBI:50694) has role antibacterial drug (CHEBI:36047)
minocycline (CHEBI:50694) is a tetracenomycin (CHEBI:48132)
minocycline (CHEBI:50694) is a tetracyclines (CHEBI:26895)
minocycline (CHEBI:50694) is conjugate acid of minocycline(1−) (CHEBI:71337)
minocycline (CHEBI:50694) is tautomer of minocycline zwitterion (CHEBI:77906)
Incoming minocycline hydrochloride (CHEBI:50697) has part minocycline (CHEBI:50694)
minocycline(1−) (CHEBI:71337) is conjugate base of minocycline (CHEBI:50694)
minocycline zwitterion (CHEBI:77906) is tautomer of minocycline (CHEBI:50694)
IUPAC Name
(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
INNs Sources
minociclina DrugBank
minociclinum DrugBank
minocycline ChemIDplus
Synonyms Sources
(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE PDBeChem
7-Dimethylamino-6-demethyl-6-deoxytetracycline ChemIDplus
Minocycline KEGG COMPOUND
minomycin ChEBI
Database Links Databases
1813 DrugCentral
C00018686 KNApSAcK
C07225 KEGG COMPOUND
D05045 KEGG DRUG
DB01017 DrugBank
HMDB15152 HMDB
LMPK07000002 LIPID MAPS
MIY PDBeChem
US3226436 Patent
WO2008104734 Patent
View more database links
Registry Numbers Types Sources
10118-90-8 CAS Registry Number KEGG COMPOUND
10118-90-8 CAS Registry Number ChemIDplus
3077644 Reaxys Registry Number Reaxys
3077644 Beilstein Registry Number Beilstein
Last Modified
22 February 2017