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CHEBI:50694 - minocycline

ChEBI IDCHEBI:50694
ChEBI Nameminocycline
Stars
DefinitionA tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.
Secondary ChEBI IDsCHEBI:6939, CHEBI:44053
Last Modified27 October 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H27N3O7
Net Charge0
Average Mass457.483
Monoisotopic Mass457.18490
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](N(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)/t9-,11-,17-,23-/m0/s1
InChIKeyDYKFCLLONBREIL-KVUCHLLUSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
antibacterial drug  A drug used to treat or prevent bacterial infections.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
minocycline (CHEBI:50694) has role Escherichia coli metabolite (CHEBI:76971)
minocycline (CHEBI:50694) has role antibacterial drug (CHEBI:36047)
minocycline (CHEBI:50694) has role geroprotector (CHEBI:176497)
minocycline (CHEBI:50694) is a tertiary α-hydroxy ketone (CHEBI:139592)
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 Relation(s)
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  Source
minociclinaDrugBank
minocyclineChemIDplus
minociclinumDrugBank
Synonyms  Source
MinocyclineKEGG COMPOUND
(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-CARBOXAMIDEPDBeChem
7-Dimethylamino-6-demethyl-6-deoxytetracyclineChemIDplus
minomycinChEBI
Manual XrefsDatabases
C07225KEGG COMPOUND
MIYPDBeChem
DB01017DrugBank
D05045KEGG DRUG
US3226436Patent
LMPK07000002LIPID MAPS
WO2008104734Patent
HMDB0015152HMDB
C00018686KNApSAcK
1813DrugCentral
16735907ChemSpider
Registry NumbersSources
Reaxys:3077644Reaxys
CAS:10118-90-8KEGG COMPOUND
CAS:10118-90-8ChemIDplus
Citations