Marvin  10150810542D          

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M  END
> <ID>
CHEBI:27902

> <NAME>
tetracycline

> <DEFINITION>
A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45729; CHEBI:9474; CHEBI:26894

> <SYNONYM>
Tsiklomitsin; Tetrazyklin; tetracycline; TETRACYCLINE; Tetracycline; Tetracyclin; Liquamycin; Deschlorobiomycin; Anhydrotetracycline; Achromycin; Abramycin; (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide

> <IUPAC_NAME>
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

> <INN>
tetracyclinum; tetracycline

> <FORMULA>
C22H24N2O8

> <MASS>
444.43460

> <MONOISOTOPIC_MASS>
444.15327

> <CHARGE>
0

> <SMILES>
[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C

> <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

> <INCHIKEY>
OFVLGDICTFRJMM-WESIUVDSSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2230417

> <CAS_REGISTRY_NUMBER>
60-54-8

> <GMELIN_REGISTRY_NUMBER>
1103368

> <REAXYS_REGISTRY_NUMBER>
2230417

> <CHEMIDPLUS>
60-54-8

> <DRUGBANK_ACCESSION>
DB00759

> <KEGG_COMPOUND_ACCESSION>
C06570

> <KEGG_DRUG_ACCESSION>
D00201

> <METACYC_ACCESSION>
CPD0-1414

> <PDBECHEM_ACCESSION>
TAC

> <WIKIPEDIA_ACCESSION>
Tetracycline

> <PUBMED_CITATION>
11061623; 11550419; 11744940; 12934399; 14585720; 15825421; 15913752; 16443056; 1650428; 16749547; 17251127; 17260506; 18326855; 18406588; 19032078; 19112759; 19136803; 25286144; 26876942

$$$$