CHEBI:215039 - 5-Hydroxy-7-chlortetracycline

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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 5-Hydroxy-7-chlortetracycline
ChEBI ID CHEBI:215039
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23ClN2O9
Net Charge 0
Average Mass 494.880
Monoisotopic Mass 494.10921
InChI InChI=1S/C22H23ClN2O9/c1-21(33)11-6(23)4-5-7(26)8(11)15(27)9-12(21)17(29)13-14(25(2)3)16(28)10(20(24)32)19(31)22(13,34)18(9)30/h4-5,12-14,17,26-27,29,31,33-34H,1-3H3,(H2,24,32)/t12-,13-,14+,17+,21-,22+/m1/s1
InChIKey OAEJIRGWSKVDBP-PXOLEDIWSA-N
SMILES ClC1=C2C(C(O)=C3C(=O)[C@]4(O)C(O)=C(C(=O)N)C([C@H]([C@@H]4[C@H]([C@@H]3[C@@]2(O)C)O)N(C)C)=O)=C(O)C=C1
Metabolite of Species Details
Streptomyces rimosus (NCBI:txid1927) 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 5-Hydroxy-7-chlortetracycline (CHEBI:215039) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aR,5S,5aR,6S,12aR)-7-chloro-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Manual Xref Database
78439933 ChemSpider
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