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CHEBI:754970 - doxycycline calcium

Default Structure
ChEBI IDCHEBI:754970
ChEBI Namedoxycycline calcium
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC22H23N2O8.C22H23N2O8.Ca
Net Charge0
Average Mass926.942
Monoisotopic Mass926.25347
SMILES[Ca+2].[H][C@@]12C(=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]3([H])[C@H]1O)C(=O)c1c([O-])cccc1[C@@H]2C.[H][C@@]12C(=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]3([H])[C@H]1O)C(=O)c1c([O-])cccc1[C@@H]2C
InChIInChI=1S/2C22H24N2O8.Ca/c2*1-7-8-5-4-6-9(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;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);/q;;+2/p-2/t2*7-,10+,14+,15-,17-,22-;/m00./s1
InChIKeyGJPGCACMCURAKH-YQCFNCLSSA-L
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)
doxycycline calcium (CHEBI:754970) is a tetracyclines (CHEBI:26895)