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CHEBI:74354 - 15-demethylaclacinomycin T zwitterion

ChEBI IDCHEBI:74354
ChEBI Name15-demethylaclacinomycin T zwitterion
Stars
DefinitionA zwitterion obtained by transfer of a proton from the carboxy to the tertiary amino group of 15-demethylaclacinomycin T.
Last Modified15 April 2015
SubmitterKAX
DownloadsMolfile
FormulaC29H33NO10
Net Charge0
Average Mass555.580
Monoisotopic Mass555.21045
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH+](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
ChEBI Ontology
Outgoing Relation(s)
15-demethylaclacinomycin T zwitterion (CHEBI:74354) is a zwitterion (CHEBI:27369)
15-demethylaclacinomycin T zwitterion (CHEBI:74354) is tautomer of 15-demethylaclacinomycin T (CHEBI:74620)
Incoming Relation(s)
15-demethylaclacinomycin T (CHEBI:74620) is tautomer of 15-demethylaclacinomycin T zwitterion (CHEBI:74354)
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-carboxylate
UniProt Name  Source
15-demethylaclacinomycin TUniProt
Citations