CHEBI:81650 - 4-Aminoanhydrochlortetracycline

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ChEBI Name 4-Aminoanhydrochlortetracycline
ChEBI ID CHEBI:81650
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H17ClN2O7
Net Charge 0
Average Mass 432.81100
Monoisotopic Mass 432.07243
InChI InChI=1S/C20H17ClN2O7/c1-5-6-4-7-14(22)16(26)13(19(23)29)18(28)20(7,30)17(27)11(6)15(25)12-9(24)3-2-8(21)10(5)12/h2-3,7,14,24-26,30H,4,22H2,1H3,(H2,23,29)/t7-,14-,20-/m0/s1
InChIKey KMAMVYDEYKZRFY-LLVYKECFSA-N
SMILES Cc1c2C[C@H]3[C@H](N)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(=O)c2c(O)c2c(O)ccc(Cl)c12
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 4-Aminoanhydrochlortetracycline (CHEBI:81650) is a tetracyclines (CHEBI:26895)
Synonym Source
4-Aminoanhydro-7-chlorotetracycline KEGG COMPOUND
Manual Xref Database
C18299 KEGG COMPOUND
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