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CHEBI:752057 - demecycline

Default Structure
ChEBI IDCHEBI:752057
ChEBI Namedemecycline
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC21H22N2O8
Net Charge0
Average Mass430.413
Monoisotopic Mass430.13762
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)cccc1[C@H]2O
InChIInChI=1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-25,27-28,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14-,15+,21-/m0/s1
InChIKeyJCSGAUKCDAVARS-SOUFLCLCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
demecycline (CHEBI:752057) is a tetracyclines (CHEBI:26895)
INNs  Source
demeciclinaWHO MedNet
demecyclineWHO MedNet
Synonyms  Source
A IXChEMBL
A-IXChEMBL
CL 22415ChEMBL
CL-22415ChEMBL