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CHEBI:27644 - chlortetracycline

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:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
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.
Applications:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
antibacterial drug  A drug used to treat or prevent bacterial 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
clortetraciclinaWHO MedNet
chlortetracyclinumWHO MedNet
chlortetracyclineWHO MedNet
chlortétracyclineWHO MedNet
Synonym  Source
7-ChlorotetracyclineKEGG COMPOUND
Brand Name  Source
AueromycinKEGG DRUG
Manual XrefsDatabases
C06571KEGG COMPOUND
CTCPDBeChem
D07689KEGG DRUG
LMPK07000004LIPID MAPS
HMDB0014401HMDB
US2482055Patent
624DrugCentral
Registry NumbersSources
CAS:57-62-5KEGG COMPOUND
CAS:57-62-5ChemIDplus
Citations