CHEBI:81648 - Anhydrochlortetracycline

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ChEBI Name Anhydrochlortetracycline
ChEBI ID CHEBI:81648
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H21ClN2O7
Net Charge 0
Average Mass 460.86400
Monoisotopic Mass 460.10373
InChI InChI=1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-28,32H,6H2,1-3H3,(H2,24,31)/t9-,16-,22-/m0/s1
InChIKey NICZYMKKWKYGHT-BAQLRCJTSA-N
SMILES CN(C)[C@H]1[C@@H]2Cc3c(C)c4c(Cl)ccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(C(N)=O)=C1O
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 )
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ChEBI Ontology
Outgoing Anhydrochlortetracycline (CHEBI:81648) is a tetracyclines (CHEBI:26895)
Synonym Source
Anhydro-7-chlorotetracycline KEGG COMPOUND
Manual Xref Database
C18297 KEGG COMPOUND
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