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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.
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.
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
minociclinumDrugBank
minocyclineChemIDplus
Synonyms  Source
(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
MinocyclineKEGG COMPOUND
minomycinChEBI
Manual XrefsDatabases
16735907ChemSpider
1813DrugCentral
C00018686KNApSAcK
C07225KEGG COMPOUND
D05045KEGG DRUG
DB01017DrugBank
HMDB0015152HMDB
LMPK07000002LIPID MAPS
MIYPDBeChem
US3226436Patent
WO2008104734Patent
Registry NumbersSources
Reaxys:3077644Reaxys
CAS:10118-90-8KEGG COMPOUND
CAS:10118-90-8ChemIDplus
Citations