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CHEBI:190249 - 4-Amino-anhydrotetracycline

ChEBI IDCHEBI:190249
ChEBI Name4-Amino-anhydrotetracycline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18N2O7
Net Charge0
Average Mass398.371
Monoisotopic Mass398.11140
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
InChIInChI=1S/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-24,27,29H,5,21H2,1H3,(H2,22,28)/t9-,14-,20-/m0/s1
InChIKeyIBTVIYOZSFOEBW-OWYOPICZSA-N
Species of MetaboliteComponentSourceComments
Synechococcus elongatus PCC 7942 (ncbitaxon:32046) cell culture (BTO:0000214) MetaboLights (MTBLS2825)
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)
4-Amino-anhydrotetracycline (CHEBI:190249) is a tetracyclines (CHEBI:26895)
IUPAC Name 
(4S,4aS,12aR)-4-amino-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
Manual XrefsDatabases
C06654KEGG COMPOUND