CHEBI:207838 - 6-demethyltetracycline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-demethyltetracycline
ChEBI ID CHEBI:207838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22N2O8
Net Charge 0
Average Mass 430.413
Monoisotopic Mass 430.13762
InChI InChI=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/h3-5,8-9,14-15,24-26,29,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14-,15+,21-/m0/s1
InChIKey RMVMLZHPWMTQGK-SOUFLCLCSA-N
SMILES O=C1C2=C(O)C3=C(O)C=CC=C3[C@H]([C@H]2C[C@@H]4[C@@]1(O)C(O)=C(C(=O)[C@H]4N(C)C)C(=O)N)O
Metabolite of Species Details
Kitasatospora aureofaciens (NCBI:txid1894) See: DOI
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-demethyltetracycline (CHEBI:207838) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Manual Xrefs Databases
68025446 ChemSpider
D03681 KEGG DRUG
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