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CHEBI:75297 - 13-deoxydaunorubicin(1+)

ChEBI IDCHEBI:75297
ChEBI Name13-deoxydaunorubicin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of 13-deoxydaunorubicin, obtained by protonation of the primary amino function.
Last Modified23 August 2024
SubmitterKAX
DownloadsMolfile
FormulaC27H32NO9
Net Charge+1
Average Mass514.551
Monoisotopic Mass514.20716
SMILESCC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
InChIInChI=1S/C27H31NO9/c1-4-27(34)9-13-19(16(10-27)37-17-8-14(28)22(29)11(2)36-17)26(33)21-20(24(13)31)23(30)12-6-5-7-15(35-3)18(12)25(21)32/h5-7,11,14,16-17,22,29,31,33-34H,4,8-10,28H2,1-3H3/p+1/t11-,14-,16-,17-,22+,27-/m0/s1
InChIKeyXAMIMZAWZUSOPA-JIGXQNLBSA-O
ChEBI Ontology
Outgoing Relation(s)
13-deoxydaunorubicin(1+) (CHEBI:75297) is a ammonium ion derivative (CHEBI:35274)
13-deoxydaunorubicin(1+) (CHEBI:75297) is a organic cation (CHEBI:25697)
13-deoxydaunorubicin(1+) (CHEBI:75297) is conjugate acid of 13-deoxydaunorubicin (CHEBI:31057)
Incoming Relation(s)
13-deoxydaunorubicin (CHEBI:31057) is conjugate base of 13-deoxydaunorubicin(1+) (CHEBI:75297)
IUPAC Name 
(1S,3S)-3-ethyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
UniProt Name  Source
13-deoxydaunorubicinUniProt
Citations