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CHEBI:74620 - 15-demethylaclacinomycin T

ChEBI IDCHEBI:74620
ChEBI Name15-demethylaclacinomycin T
Stars
DefinitionAn anthracycline obtained by hydrolysis of the methyl ester group of aclacinomycin T.
Last Modified6 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC29H33NO10
Net Charge0
Average Mass555.580
Monoisotopic Mass555.21045
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)O
InChIInChI=1S/C29H33NO10/c1-5-29(38)11-18(40-19-10-16(30(3)4)24(32)12(2)39-19)21-14(23(29)28(36)37)9-15-22(27(21)35)26(34)20-13(25(15)33)7-6-8-17(20)31/h6-9,12,16,18-19,23-24,31-32,35,38H,5,10-11H2,1-4H3,(H,36,37)/t12-,16-,18-,19-,23-,24+,29+/m0/s1
InChIKeyHKQXZLWMWSFFJI-YTGURXTNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
15-demethylaclacinomycin T (CHEBI:74620) has functional parent aklavinone (CHEBI:31181)
15-demethylaclacinomycin T (CHEBI:74620) is a p-quinones (CHEBI:25830)
15-demethylaclacinomycin T (CHEBI:74620) is a aminoglycoside (CHEBI:47779)
15-demethylaclacinomycin T (CHEBI:74620) is a anthracycline (CHEBI:48120)
15-demethylaclacinomycin T (CHEBI:74620) is a deoxy hexoside (CHEBI:35315)
15-demethylaclacinomycin T (CHEBI:74620) is a hydroxy monocarboxylic acid (CHEBI:35868)
15-demethylaclacinomycin T (CHEBI:74620) is a monosaccharide derivative (CHEBI:63367)
15-demethylaclacinomycin T (CHEBI:74620) is tautomer of 15-demethylaclacinomycin T zwitterion (CHEBI:74354)
Incoming Relation(s)
15-demethylaclacinomycin T zwitterion (CHEBI:74354) is tautomer of 15-demethylaclacinomycin T (CHEBI:74620)
IUPAC Name 
(1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylazaniumyl)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid
Synonym  Source
15-demethoxyaclacinomycin TChEBI
Citations