CHEBI:81649 - 5a,11a-Dehydrochlortetracycline

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ChEBI Name 5a,11a-Dehydrochlortetracycline
ChEBI ID CHEBI:81649
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H21ClN2O8
Net Charge 0
Average Mass 476.86400
Monoisotopic Mass 476.09864
InChI InChI=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
InChIKey ZWVGXYMEBVFNGR-GUQUGOGCSA-N
SMILES CN(C)[C@H]1[C@@H]2CC3=C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=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 5a,11a-Dehydrochlortetracycline (CHEBI:81649) is a tetracyclines (CHEBI:26895)
Synonyms Sources
5a,11a-Dehydro-7-chlorotetracycline KEGG COMPOUND
Dehydrochlortetracycline KEGG COMPOUND
Manual Xref Database
C18298 KEGG COMPOUND
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