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CHEBI:134017 - 11a-hydroxytetracycline

Default Structure
ChEBI IDCHEBI:134017
ChEBI Name11a-hydroxytetracycline
Stars
DefinitionA member of the class of tetracyclines obtained by selective hydroxylation at position 11a of tetracycline.
Last Modified6 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC22H24N2O9
Net Charge0
Average Mass460.439
Monoisotopic Mass460.14818
SMILES[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(=O)[C@@]1(O)C(=O)c1c(O)cccc1[C@@]2(C)O
InChIInChI=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
InChIKeyFWVRSACGGAUWNP-BWOONYPSSA-N
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 XrefsDatabases
CPD-19252MetaCyc
Citations