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CHEBI:201596 - 4-epi-Chlortetracycline Hydrochloride

Default Structure
ChEBI IDCHEBI:201596
ChEBI Name4-epi-Chlortetracycline Hydrochloride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23ClN2O8.HCl
Net Charge0
Average Mass515.346
Monoisotopic Mass514.09097
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12.Cl
InChIInChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H
InChIKeyQYAPHLRPFNSDNH-UHFFFAOYSA-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)
4-epi-Chlortetracycline Hydrochloride (CHEBI:201596) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
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