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CHEBI:74755 - aclacinomycin T(1+)

ChEBI IDCHEBI:74755
ChEBI Nameaclacinomycin T(1+)
Stars
DefinitionA quaternary ammonium ion resulting from the protonation of the amino group of aclacinomycin T. The major species at pH 7.3.
Last Modified9 June 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H36NO10
Net Charge+1
Average Mass570.615
Monoisotopic Mass570.23337
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)OC
InChIInChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/p+1/t13-,17-,19-,20-,24-,25+,30+/m0/s1
InChIKeyLJZPVWKMAYDYAS-QKKPTTNWSA-O
ChEBI Ontology
Outgoing Relation(s)
aclacinomycin T(1+) (CHEBI:74755) is a anthracycline cation (CHEBI:64678)
aclacinomycin T(1+) (CHEBI:74755) is conjugate acid of aclacinomycin T (CHEBI:74351)
aclacinomycin T(1+) (CHEBI:74755) is conjugate acid of aclacinomycin T zwitterion (CHEBI:77979)
Incoming Relation(s)
aclacinomycin T hydrochloride (CHEBI:74758) has part aclacinomycin T(1+) (CHEBI:74755)
aclacinomycin T (CHEBI:74351) is conjugate base of aclacinomycin T(1+) (CHEBI:74755)
aclacinomycin T zwitterion (CHEBI:77979) is conjugate base of aclacinomycin T(1+) (CHEBI:74755)
IUPAC Name 
(1S,3R,4R)-3-ethyl-3,10,12-trihydroxy-4-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylammonio)-α-L-lyxo-hexopyranoside
Synonyms  Source
1-deoxypyrromycin(1+)ChEBI
aklavin(1+)ChEBI
aklavine(1+)ChEBI
antibiotic MA 144T1(1+)ChEBI
doxypyrromycin(1+)ChEBI
MA 144T1(1+)ChEBI