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CHEBI:190245 - 11a-Hydroxy-7-chlortetracycline

ChEBI IDCHEBI:190245
ChEBI Name11a-Hydroxy-7-chlortetracycline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23ClN2O9
Net Charge0
Average Mass494.884
Monoisotopic Mass494.10921
SMILES[H][C@@]12C[C@@]3([H])C(O)(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@H]2N(C)C
InChIInChI=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
InChIKeyXMNCXQDCUCCGJX-PRVYJEFOSA-N
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
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)
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 XrefsDatabases
C21439KEGG COMPOUND