CHEBI:85430 - 11-deoxy-β-rhodomycin zwitterion

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ChEBI Name 11-deoxy-β-rhodomycin zwitterion ChEBI ID CHEBI:85430 ChEBI ASCII Name 11-deoxy-beta-rhodomycin zwitterion Definition A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of 11-deoxy-β-rhodomycin; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H33NO9 Net Charge 0 Average Mass 527.56290 Monoisotopic Mass 527.21553 InChI InChI=1S/C28H33NO9/c1-5-28(36)11-18(38-19-10-16(29(3)4)23(31)12(2)37-19)21-15(27(28)35)9-14-22(26(21)34)25(33)20-13(24(14)32)7-6-8-17(20)30/h6-9,12,16,18-19,23,27,30-31,34-36H,5,10-11H2,1-4H3/t12-,16-,18-,19-,23+,27+,28+/m0/s1 InChIKey IWALHFMBCZSCRZ-SONOWFOZSA-N 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]1O ChEBI Ontology Outgoing 11-deoxy-β-rhodomycin zwitterion (CHEBI:85430) is a zwitterion (CHEBI:27369) 11-deoxy-β-rhodomycin zwitterion (CHEBI:85430) is tautomer of 11-deoxy-β-rhodomycin (CHEBI:85897) Incoming 11-deoxy-β-rhodomycin (CHEBI:85897) is tautomer of 11-deoxy-β-rhodomycin zwitterion (CHEBI:85430) IUPAC Name (1R,2R,4S)-2-ethyl-1,2,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylazaniumyl)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate Synonym Source 10-decarboxymethylaclacinomycin T UniProt Citation Type Source 15548527 PubMed citation SUBMITTER Last Modified 29 May 2015