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

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ChEBI Name 4-dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline
ChEBI ID CHEBI:28392
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20355, CHEBI:1819
Supplier Information
Download Molfile XML SDF
Formula C20H14ClNO8
Net Charge 0
Average Mass 431.780
Monoisotopic Mass 431.04079
InChI InChI=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
InChIKey QVXDDJGWOXLKSL-JKNYTWMOSA-N
SMILES [H][C@@]12CC3=C(C)C4=C(Cl)C=CC(O)=C4C(O)=C3C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C2=O
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 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 Sources
4-dedimethylamine-4-oxo-anhydro-7-chloro-tetracycline KEGG COMPOUND
4-ketoanhydro-7-chlorotetracycline KEGG COMPOUND
4-Ketoanhydrochlortetracycline KEGG COMPOUND
4-oxoanhydrochlortetracycline KEGG COMPOUND
Manual Xrefs Databases
C06626 KEGG COMPOUND
LMPK07000006 LIPID MAPS
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Last Modified
14 September 2023