CHEBI:201678 - Oxytetracycline Impurity A

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ChEBI Name Oxytetracycline Impurity A
ChEBI ID CHEBI:201678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24N2O9
Net Charge 0
Average Mass 460.439
Monoisotopic Mass 460.14818
InChI InChI=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)
InChIKey OWFJMIVZYSDULZ-UHFFFAOYSA-N
SMILES O=C1C2=C(O)C3=C(O)C=CC=C3C(C2C(O)C4C1(O)C(O)=C(C(=O)C4N(C)C)C(=O)N)(O)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via tetracyclines )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
58172529 ChemSpider
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