CHEBI:75730 - carminomycin(1+)

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ChEBI Name carminomycin(1+) ChEBI ID CHEBI:75730 Definition An anthracyline cation that is the conjugate acid of carminomycin, obtained by protonation of the amino group. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C26H28NO10 Net Charge +1 Average Mass 514.50120 Monoisotopic Mass 514.17077 InChI InChI=1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/p+1/t9-,13-,15-,16-,21+,26-/m0/s1 InChIKey XREUEWVEMYWFFA-CSKJXFQVSA-O SMILES C[C@@H]1O[C@H](C[C@H]([NH3+])[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(O)c4C(=O)c3c(O)c12)C(C)=O ChEBI Ontology Outgoing carminomycin(1+) (CHEBI:75730) is a anthracycline cation (CHEBI:64678) carminomycin(1+) (CHEBI:75730) is conjugate acid of carminomycin (CHEBI:31359) Incoming carminomycin (CHEBI:31359) is conjugate base of carminomycin(1+) (CHEBI:75730) IUPAC Name (1S,3S)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside Synonym Source carminomycin UniProt Manual Xref Database CPD-15734 MetaCyc View more database links Citation Type Source 8360627 PubMed citation SUBMITTER Last Modified 04 April 2018