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15-demethylaclacinomycin T

Properties

Image

Occurences in reactions

MNX_ID

MNXM145799

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₉H₃₃NO₁₀

charge

mass

555.21045

reference

chebi:74354

InChIKey

HKQXZLWMWSFFJI-YTGURXTNSA-N

InChI

InChI=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

SMILES

CC[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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:74354 chebi:74354	15-demethylaclacinomycin T (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate 15-demethylaclacinomycin T zwitterion
kegg.compound:C20689 keggC:C20689	15-Demethylaclacinomycin T
seed.compound:cpd31279 seedM:cpd31279	15-Demethylaclacinomycin T 15-demethoxyaclacinomycin T
metacyc.compound:CPD-15542 metacycM:CPD-15542	15-demethoxyaclacinomycin T
CHEBI:74620 chebi:74620	15-demethylaclacinomycin T (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid 15-demethoxyaclacinomycin T
keggC:M_C20689 seedM:M_cpd31279	secondary/obsolete/fantasy identifier