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CHEBI:191005 - 5a,6-anhydrotetracycline

ChEBI IDCHEBI:191005
ChEBI Name5a,6-anhydrotetracycline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22N2O7
Net Charge0
Average Mass426.425
Monoisotopic Mass426.14270
SMILES[H][C@@]12Cc3c(c(O)c4c(O)cccc4c3C)C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@H]2N(C)C
InChIInChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1
InChIKeyKTTKGQINVKPHLY-DOCRCCHOSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Biological Role:
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)
5a,6-anhydrotetracycline (CHEBI:191005) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
Manual XrefsDatabases
61711312ChemSpider
C02811KEGG COMPOUND
LMPK02000007LIPID MAPS