CHEBI:134017 - 11a-hydroxytetracycline

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ChEBI Name 11a-hydroxytetracycline
ChEBI ID CHEBI:134017
Definition A member of the class of tetracyclines obtained by selective hydroxylation at position 11a of tetracycline.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H24N2O9
Net Charge 0
Average Mass 460.435
Monoisotopic Mass 460.14818
InChI InChI=1S/C22H24N2O9/c1-20(31)8-5-4-6-10(25)12(8)16(27)22(33)11(20)7-9-14(24(2)3)15(26)13(18(23)29)17(28)21(9,32)19(22)30/h4-6,9,11,14,25-26,31-33H,7H2,1-3H3,(H2,23,29)/t9-,11+,14-,20+,21+,22-/m0/s1
InChIKey FWVRSACGGAUWNP-BWOONYPSSA-N
SMILES C12=CC=CC(=C1C([C@]3([C@](C[C@]4([C@@H](C(O)=C(C([C@@]4(O)C3=O)=O)C(N)=O)N(C)C)[H])([C@]2(C)O)[H])O)=O)O
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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 11a-hydroxytetracycline (CHEBI:134017) has functional parent tetracycline (CHEBI:27902)
11a-hydroxytetracycline (CHEBI:134017) has role bacterial xenobiotic metabolite (CHEBI:76976)
11a-hydroxytetracycline (CHEBI:134017) is a tertiary α-hydroxy ketone (CHEBI:139592)
11a-hydroxytetracycline (CHEBI:134017) is a tetracyclines (CHEBI:26895)
11a-hydroxytetracycline (CHEBI:134017) is tautomer of 11a-hydroxytetracycline zwitterion (CHEBI:132727)
Incoming 11a-hydroxytetracycline zwitterion (CHEBI:132727) is tautomer of 11a-hydroxytetracycline (CHEBI:134017)
IUPAC Name
(4S,4aS,5aR,6S,11aS,12aR)-4-(dimethylamino)-3,6,10,11a,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide
Manual Xref Database
CPD-19252 MetaCyc
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Citation Waiting for Citations Type Source
23999299 PubMed citation Europe PMC
Last Modified
06 February 2018