5-Hydroxy-7-chlortetracycline (CHEBI:215039)

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CHEBI:215039 - 5-Hydroxy-7-chlortetracycline

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ChEBI ID	CHEBI:215039
ChEBI Name	5-Hydroxy-7-chlortetracycline
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H23ClN2O9
Net Charge	0
Average Mass	494.884
Monoisotopic Mass	494.10921
SMILES	CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12
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

Species of Metabolite	Component	Source	Comments
Streptomyces rimosus (ncbitaxon:1927)	-	DOI (10.1021/ja00967a033)

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)
	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 Xrefs	Databases
78439933	ChemSpider