loading...| Preferred Name |
chlortetracycline |
|
| Synonyms |
(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 chlortetracycline chlortetracyclinum Aueromycin 7-Chlorotetracycline clortetraciclina |
|
| Definitions |
A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_27644 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:7150561 PMID:25602656 Patent:US2482055 PMID:23530364 CAS:57-62-5 KEGG:C06571 LIPID_MAPS_instance:LMPK07000004 KEGG:D07689 PMID:24845506 PMID:7390959 Drug_Central:624 HMDB:HMDB0014401 PMID:25131164 PMID:7988792 PDBeChem:CTC |
|
| definition |
A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. |
|
| formula |
C22H23ClN2O8 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35820 http://purl.obolibrary.org/obo/CHEBI_22986 |
|
| has_alternative_id |
CHEBI:23164 CHEBI:3653 |
|
| has_exact_synonym |
(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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
chlortetracycline chlortetracyclinum Aueromycin 7-Chlorotetracycline clortetraciclina |
|
| id |
CHEBI:27644 |
|
| in_subset | ||
| inchi |
InChI=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 |
|
| inchikey |
CYDMQBQPVICBEU-XRNKAMNCSA-N |
|
| is conjugate acid of | ||
| label |
chlortetracycline |
|
| mass |
478.88000 |
|
| monoisotopicmass |
478.11429 |
|
| notation |
CHEBI:27644 |
|
| prefLabel |
chlortetracycline |
|
| smiles |
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_29347 http://purl.obolibrary.org/obo/CHEBI_26878 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_139592 http://purl.obolibrary.org/obo/CHEBI_83403 http://purl.obolibrary.org/obo/CHEBI_29347 http://purl.obolibrary.org/obo/CHEBI_26878 |