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CHEBI:64677 - daunorubicin(1+)

ChEBI IDCHEBI:64677
ChEBI Namedaunorubicin(1+)
Stars
DefinitionAn anthracycline cation that is the conjugate acid of daunorubicin, arising from protonation of the amino group.
Last Modified7 June 2012
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H30NO10
Net Charge+1
Average Mass528.534
Monoisotopic Mass528.18642
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/C27H29NO10/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/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16-,17-,22+,27-/m0/s1
InChIKeySTQGQHZAVUOBTE-VGBVRHCVSA-O
ChEBI Ontology
Outgoing Relation(s)
daunorubicin(1+) (CHEBI:64677) is a anthracycline cation (CHEBI:64678)
daunorubicin(1+) (CHEBI:64677) is conjugate acid of daunorubicin (CHEBI:41977)
Incoming Relation(s)
daunorubicin (CHEBI:41977) is conjugate base of daunorubicin(1+) (CHEBI:64677)
IUPAC Name 
(1S,3S)-3-acetyl-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
Synonyms  Source
daunorubicin (+1)ChEBI
daunorubicin cationChEBI
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammmonio-2,3,6-trideoxy-α-L-lyxo-hexopyranosideIUPAC
UniProt Name  Source
daunorubicinUniProt