CHEBI:64677 - daunorubicin(1+)

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ChEBI Name daunorubicin(1+)
ChEBI ID CHEBI:64677
Definition An anthracycline cation that is the conjugate acid of daunorubicin, arising from protonation of the amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C27H30NO10
Net Charge +1
Average Mass 528.52780
Monoisotopic Mass 528.18642
InChI InChI=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
InChIKey STQGQHZAVUOBTE-VGBVRHCVSA-O
SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H]([NH3+])[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
ChEBI Ontology
Outgoing daunorubicin(1+) (CHEBI:64677) is a anthracycline cation (CHEBI:64678)
daunorubicin(1+) (CHEBI:64677) is conjugate acid of daunorubicin (CHEBI:41977)
Incoming 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 Sources
(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-hexopyranoside IUPAC
daunorubicin UniProt
daunorubicin (+1) ChEBI
daunorubicin cation ChEBI
Last Modified
07 June 2012