CHEBI:74755 - aclacinomycin T(1+)

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ChEBI Name aclacinomycin T(1+)
ChEBI ID CHEBI:74755
Definition A quaternary ammonium ion resulting from the protonation of the amino group of aclacinomycin T. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB3337152, ChemicalBook:CB0337151, eMolecules:480325, Selleckchem:Fumalic-acid(Ferulic-acid), ZINC000000058258
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Formula C30H36NO10
Net Charge +1
Average Mass 570.60750
Monoisotopic Mass 570.23337
InChI InChI=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
InChIKey LJZPVWKMAYDYAS-QKKPTTNWSA-O
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
ChEBI Ontology
Outgoing 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 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 Sources
1-deoxypyrromycin(1+) ChEBI
aklavin(1+) ChEBI
aklavine(1+) ChEBI
antibiotic MA 144T1(1+) ChEBI
doxypyrromycin(1+) ChEBI
MA 144T1(1+) ChEBI
Rhodosaminyl-aklavinone(1+) ChEBI
Last Modified
09 June 2014