CHEBI:75296 - 13-dihydrodaunorubicin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13-dihydrodaunorubicin(1+)
ChEBI ID CHEBI:75296
Definition An organic cation that is the conjugate acid of 13-dihydrodaunorubicin, obtained by protonation of the primary amino function.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C27H32NO10
Net Charge +1
Average Mass 530.54370
Monoisotopic Mass 530.20207
InChI InChI=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
InChIKey HJEZFVLKJYFNQW-FKKRWUELSA-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 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 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
Synonym Source
13-dihydrodaunorubicin UniProt
Citations Waiting for Citations Types Sources
9098063 PubMed citation SUBMITTER
9864343 PubMed citation SUBMITTER
Last Modified
01 October 2013