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CHEBI:75296 - 13-dihydrodaunorubicin(1+)

ChEBI IDCHEBI:75296
ChEBI Name13-dihydrodaunorubicin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of 13-dihydrodaunorubicin, obtained by protonation of the primary amino function.
Last Modified1 October 2013
SubmitterKAX
DownloadsMolfile
FormulaC27H32NO10
Net Charge+1
Average Mass530.550
Monoisotopic Mass530.20207
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1
InChIInChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,11?,14-,16-,17-,22+,27-/m0/s1
InChIKeyHJEZFVLKJYFNQW-FKKRWUELSA-O
ChEBI Ontology
Outgoing Relation(s)
13-dihydrodaunorubicin(1+) (CHEBI:75296) is a ammonium ion derivative (CHEBI:35274)
13-dihydrodaunorubicin(1+) (CHEBI:75296) is a organic cation (CHEBI:25697)
13-dihydrodaunorubicin(1+) (CHEBI:75296) is conjugate acid of 13-dihydrodaunorubicin (CHEBI:31059)
Incoming Relation(s)
13-dihydrodaunorubicin (CHEBI:31059) is conjugate base of 13-dihydrodaunorubicin(1+) (CHEBI:75296)
IUPAC Name 
(1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-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-dihydrodaunorubicinUniProt
Citations