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CHEBI:81649 - 5a,11a-Dehydrochlortetracycline

ChEBI IDCHEBI:81649
ChEBI Name5a,11a-Dehydrochlortetracycline
Stars
DownloadsMolfile
FormulaC22H21ClN2O8
Net Charge0
Average Mass476.869
Monoisotopic Mass476.09864
SMILES[H][C@@]12CC3=C(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/C22H21ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,8,15,26,28,32-33H,6H2,1-3H3,(H2,24,31)/t8-,15-,21-,22-/m0/s1
InChIKeyZWVGXYMEBVFNGR-GUQUGOGCSA-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)
5a,11a-Dehydrochlortetracycline (CHEBI:81649) is a tetracyclines (CHEBI:26895)
Synonyms  Source
5a,11a-Dehydro-7-chlorotetracyclineKEGG COMPOUND
DehydrochlortetracyclineKEGG COMPOUND
Manual XrefsDatabases
C18298KEGG COMPOUND