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CHEBI:134655 - desmethylanhydrotetracycline

ChEBI IDCHEBI:134655
ChEBI Namedesmethylanhydrotetracycline
Stars
DefinitionA member of the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen.
Last Modified7 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC21H20N2O7
Net Charge0
Average Mass412.398
Monoisotopic Mass412.12705
SMILES[H][C@@]12Cc3c(c(O)c4c(O)cccc4c3C)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2NC
InChIInChI=1S/C21H20N2O7/c1-7-8-4-3-5-11(24)12(8)16(25)13-9(7)6-10-15(23-2)17(26)14(20(22)29)19(28)21(10,30)18(13)27/h3-5,10,15,23-26,30H,6H2,1-2H3,(H2,22,29)/t10-,15-,21-/m0/s1
InChIKeyIIHPMGDKNZPGON-QYAMTVPHSA-N
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)
desmethylanhydrotetracycline (CHEBI:134655) is a tertiary α-hydroxy ketone (CHEBI:139592)
desmethylanhydrotetracycline (CHEBI:134655) is a tetracyclines (CHEBI:26895)
desmethylanhydrotetracycline (CHEBI:134655) is tautomer of desmethylanhydrotetracycline zwitterion (CHEBI:133696)
Incoming Relation(s)
desmethylanhydrotetracycline zwitterion (CHEBI:133696) is tautomer of desmethylanhydrotetracycline (CHEBI:134655)
IUPAC Name 
(4S,4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-4-(methylamino)-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide
Synonyms  Source
4-methylamino-4-dedimethylamino-anhydrotetracyclineMetaCyc
4-Methylamino-4-de(dimethylamino)anhydrotetracyclineKEGG COMPOUND
N-desmethylanhydrotetracyclineChEBI
Manual XrefsDatabases
CPD-19271MetaCyc
C21436KEGG COMPOUND
Registry NumbersSources
Reaxys:18554732Reaxys