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CHEBI:27644 - chlortetracycline

Default Structure
ChEBI IDCHEBI:27644
ChEBI Namechlortetracycline
Stars
DefinitionA member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.
Secondary ChEBI IDsCHEBI:3653, CHEBI:23164
Last Modified7 February 2018
DownloadsMolfile
FormulaC22H23ClN2O8
Net Charge0
Average Mass478.885
Monoisotopic Mass478.11429
SMILES[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)ccc(Cl)c1[C@@]2(C)O
InChIInChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
InChIKeyCYDMQBQPVICBEU-XRNKAMNCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces aureofaciens (ncbitaxon:1894) - PubMed (Ann. N.Y. Acad. Sci., 1948, v51, 177)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
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.
fluorescent probe  A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
chlortetracycline (CHEBI:27644) has role antibacterial drug (CHEBI:36047)
chlortetracycline (CHEBI:27644) has role antiprotozoal drug (CHEBI:35820)
chlortetracycline (CHEBI:27644) has role calcium ionophore (CHEBI:22986)
chlortetracycline (CHEBI:27644) has role fluorescent probe (CHEBI:39442)
chlortetracycline (CHEBI:27644) is a monocarboxylic acid amide (CHEBI:29347)
chlortetracycline (CHEBI:27644) is a monochlorobenzenes (CHEBI:83403)
chlortetracycline (CHEBI:27644) is a tertiary alcohol (CHEBI:26878)
chlortetracycline (CHEBI:27644) is a tertiary amino compound (CHEBI:50996)
chlortetracycline (CHEBI:27644) is a tertiary α-hydroxy ketone (CHEBI:139592)
chlortetracycline (CHEBI:27644) is a tetracyclines (CHEBI:26895)
chlortetracycline (CHEBI:27644) is conjugate acid of chlortetracycline(1−) (CHEBI:133598)
Incoming Relation(s)
chlortetracycline(1−) (CHEBI:133598) is conjugate base of chlortetracycline (CHEBI:27644)
IUPAC Name 
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
INNs  Source
chlortetracyclineWHO MedNet
chlortétracyclineWHO MedNet
chlortetracyclinumWHO MedNet
clortetraciclinaWHO MedNet
Synonym  Source
7-ChlorotetracyclineKEGG COMPOUND
Brand Name  Source
AueromycinKEGG DRUG
Manual XrefsDatabases
624DrugCentral
C06571KEGG COMPOUND
CTCPDBeChem
D07689KEGG DRUG
HMDB0014401HMDB
LMPK07000004LIPID MAPS
US2482055Patent
Registry NumbersSources
CAS:57-62-5KEGG COMPOUND
CAS:57-62-5ChemIDplus
Citations