CHEBI:190245 - 11a-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 11a-Hydroxy-7-chlortetracycline
ChEBI ID CHEBI:190245
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/c1-20(32)10-6-7-14(25(2)3)15(27)12(18(24)30)17(29)21(7,33)19(31)22(10,34)16(28)11-9(26)5-4-8(23)13(11)20/h4-5,7,10,14,26,29,32-34H,6H2,1-3H3,(H2,24,30)/t7-,10+,14-,20-,21+,22?/m0/s1
InChIKey XMNCXQDCUCCGJX-PRVYJEFOSA-N
SMILES ClC1=C2[C@@](O)([C@]3(C[C@@]4([C@](O)(C(=O)C3(O)C(=O)C2=C(O)C=C1)C(O)=C(C(=O)[C@H]4N(C)C)C(=O)N)[H])[H])C
Metabolite of Species Details
Synechococcus elongatus PCC 7942 (NCBI:txid32046) Found in cell culture (BTO:0000214). See: MetaboLights Study
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 11a-Hydroxy-7-chlortetracycline (CHEBI:190245) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4S,4aS,5aR,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11a,12a-pentahydroxy-6-methyl-3,11,12-trioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Manual Xref Database
C21439 KEGG COMPOUND
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