Tetracycline
Tetracycline Structure
Systematic / IUPAC Name: (4S,4aS,5aS,6S,12aR)-4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
ID: Reference2166
Other Names:
2-Naphthacenecarboxamide, 4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-;
4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide;
Sumycin;
Tetracyn;
Panmycin
; more
Formula: C22H24N2O8
Class: Therapeutics/Prescription Drugs Endogenous Metabolites
Spectral Data
Tetracycline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 8 |
| No. of Spectra | 13626 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 1/8/2018 2:48:38 PM |
Identificators
| InChI | InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1 |
| InChI Key | OFVLGDICTFRJMM-WESIUVDSSA-N |
| Canonical SMILES | |
| CAS | 60548 |
| Splash | |
| Other Names |
2-Naphthacenecarboxamide, 4-(dimethylamino)-3,4,4a,5,5a,6,12,12a-octahydro-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-; 4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydro-2-tetracenecarboxamide; Sumycin; Tetracyn; Panmycin; Abramycin; Hostacyclin; Tetraverine; Ambramycin |
In Other Databases
| HMDb | HMDB14897 |
| ChemSpider | 10257122 |
| DrugBank | DB00759 |
| ChEBI | CHEBI:27902; CHEBI:77932 |
| Wikipedia | Tetracycline |
| ChEMBL | CHEMBL1440 |
| KEGG | D00201; C06570 |