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CHEBI:201678 - Oxytetracycline Impurity A

ChEBI IDCHEBI:201678
ChEBI NameOxytetracycline Impurity A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O9
Net Charge0
Average Mass460.439
Monoisotopic Mass460.14818
SMILESCN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3C(O)C12
InChIInChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)
InChIKeyOWFJMIVZYSDULZ-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)
Oxytetracycline Impurity A (CHEBI:201678) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
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58172529ChemSpider