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Experimental Factor Ontology
Last uploaded:
January 16, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_50845
http://purl.obolibrary.org/obo/CHEBI_50845
|
|---|---|
| Preferred Name | doxycycline |
| Definitions |
Tetracycline in which the 5beta-hydrogen is replaced by a hydroxy group, while the 6alpha-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis.
|
| Synonyms |
5-hydroxy-alpha-6-deoxytetracycline
doxycycline (anhydrous)
6alpha-deoxy-5-oxytetracycline
Supracyclin
doxiciclina
(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
doxycycline
doxycyclinum
Doxycyclin
Jenacyclin
Vibramycin
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Doxycycline
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | Tetracycline in which the 5beta-hydrogen is replaced by a hydroxy group, while the 6alpha-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with chronic obstructive pulmonary disease (COPD), and adult periodontitis. |
|---|---|
| preferred label |
doxycycline
|
| label |
doxycycline
|
| prefLabel |
doxycycline
|
| database_cross_reference |
CAS:564-25-0
PMID:34355683
PMCID:PMC8466018
PMID:19630297
PDBeChem:DXT
PMID:1650428
PMID:34318509
KEGG:D07876
Chemspider:10469369
SNOMEDCT:372478003
MeSH:D004318
DrugBank:DB00254
PMID:11891205
KNApSAcK:C00017127
Wikipedia:Doxycycline
PMID:34338231
PMID:11477376
Patent:US3200149
SNOMEDCT:10504007
Drug_Central:961
PMID:23698443
HMDB:HMDB0014399
PMID:24134630
PMID:16651635
PMID:34577552
KEGG:C06973
PMID:11850258
LIPID_MAPS_instance:LMPK07000001
Reaxys:3041790
PMCID:PMC8464303
PMID:34228348
MetaCyc:CPD-19256
PMID:34551605
PMID:34128838
Patent:US3019260
NCIt:C457
VSDB:1840
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|
| notation |
CHEBI:50845
|
| in_subset | |
| inchi |
InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1
|
| has_related_synonym |
5-hydroxy-alpha-6-deoxytetracycline
doxycycline (anhydrous)
6alpha-deoxy-5-oxytetracycline
Supracyclin
doxiciclina
(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
doxycycline
doxycyclinum
Doxycyclin
Jenacyclin
Vibramycin
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|
| id |
CHEBI:50845
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C22H24N2O8
|
| subClassOf | |
| inchikey |
JBIWCJUYHHGXTC-AKNGSSGZSA-N
|
| mass |
444.43464
|
| monoisotopicmass |
444.15327
|
| has_alternative_id |
CHEBI:42135
CHEBI:4713
|
| type | |
| smiles |
[H][C@@]12[C@@H](C)c3cccc(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])[C@H]2O
|
| has_role | |
| has_exact_synonym |
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Doxycycline
|
| has characteristic |
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