CHEBI:59589 - clomocycline

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ChEBI Name clomocycline
ChEBI ID CHEBI:59589
Definition Tetracycline in which the hydrogen at position 7 is substituted by chlorine and a hydrogen attached to the amide nitrogen is substituted by a hydroxymethyl group. A tetracyline antibiotic, it is used to treat acne, urinary tract infections, gum disease, and other bacterial infections such as gonorrhoea and chlamydia.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H25ClN2O9
Net Charge 0
Average Mass 508.90600
Monoisotopic Mass 508.12486
InChI InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1
InChIKey GJGDLRSSCNAKGL-KMVLDZISSA-N
SMILES [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial drug
A drug used to treat or prevent bacterial infections.
antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
protein synthesis inhibitor
A compound, usually an anti-bacterial agent or a toxin, which inhibits the synthesis of a protein.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via tetracyclines )
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
antiprotozoal drug
Any antimicrobial drug which is used to treat or prevent protozoal infections.
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ChEBI Ontology
Outgoing clomocycline (CHEBI:59589) has role antibacterial drug (CHEBI:36047)
clomocycline (CHEBI:59589) has role antimicrobial agent (CHEBI:33281)
clomocycline (CHEBI:59589) has role antiprotozoal drug (CHEBI:35820)
clomocycline (CHEBI:59589) has role protein synthesis inhibitor (CHEBI:48001)
clomocycline (CHEBI:59589) is a tertiary α-hydroxy ketone (CHEBI:139592)
clomocycline (CHEBI:59589) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
INNs Sources
clomocyclina ChemIDplus
clomocycline ChemIDplus
clomocyclinum ChemIDplus
Synonym Source
chlormethylenecycline DrugBank
Manual Xrefs Databases
702 DrugCentral
BE628142 Patent
D06885 KEGG DRUG
DB00453 DrugBank
View more database links
Registry Numbers Types Sources
1181-54-0 CAS Registry Number ChemIDplus
1181-54-0 CAS Registry Number KEGG DRUG
Last Modified
07 February 2018