CHEBI:75297 - 13-deoxydaunorubicin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13-deoxydaunorubicin(1+)
ChEBI ID CHEBI:75297
Definition An organic cation that is the conjugate acid of 13-deoxydaunorubicin, 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 C27H32NO9
Net Charge +1
Average Mass 514.54430
Monoisotopic Mass 514.20716
InChI InChI=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
InChIKey XAMIMZAWZUSOPA-JIGXQNLBSA-O
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1
ChEBI Ontology
Outgoing 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 base of 13-deoxydaunorubicin (CHEBI:31057)
Incoming 13-deoxydaunorubicin (CHEBI:31057) is conjugate acid 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
Synonym Source
13-deoxydaunorubicin UniProt
Citations Waiting for Citations Types Sources
9098063 PubMed citation SUBMITTER
9864343 PubMed citation SUBMITTER
Last Modified
04 October 2013