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CHEBI:28392 - 4-dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline

ChEBI IDCHEBI:28392
ChEBI Name4-dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline
Stars
Secondary ChEBI IDsCHEBI:1819, CHEBI:20355
Last Modified14 September 2023
DownloadsMolfile
FormulaC20H14ClNO8
Net Charge0
Average Mass431.784
Monoisotopic Mass431.04079
SMILES[H][C@@]12Cc3c(c(O)c4c(O)ccc(Cl)c4c3C)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C2=O
InChIInChI=1S/C20H14ClNO8/c1-5-6-4-7-14(24)16(26)13(19(22)29)18(28)20(7,30)17(27)11(6)15(25)12-9(23)3-2-8(21)10(5)12/h2-3,7,23,25-26,30H,4H2,1H3,(H2,22,29)/t7-,20-/m0/s1
InChIKeyQVXDDJGWOXLKSL-JKNYTWMOSA-N
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)
4-dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline (CHEBI:28392) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4aR,12aS)-7-chloro-3,10,11,12a-tetrahydroxy-6-methyl-1,4,12-trioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
Synonyms  Source
4-dedimethylamine-4-oxo-anhydro-7-chloro-tetracyclineKEGG COMPOUND
4-ketoanhydro-7-chlorotetracyclineKEGG COMPOUND
4-KetoanhydrochlortetracyclineKEGG COMPOUND
4-oxoanhydrochlortetracyclineKEGG COMPOUND
Manual XrefsDatabases
C06626KEGG COMPOUND
LMPK07000006LIPID MAPS