CHEBI:31057 - 13-deoxydaunorubicin

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ChEBI Name 13-deoxydaunorubicin
ChEBI ID CHEBI:31057
Definition An aminoglycoside antibiotic that is (1S,3S)-3-ethyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene having a 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl residue attached at position 1 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H31NO9
Net Charge 0
Average Mass 513.53630
Monoisotopic Mass 513.19988
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/t11-,14-,16-,17-,22+,27-/m0/s1
InChIKey XAMIMZAWZUSOPA-JIGXQNLBSA-N
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2C1
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via carbohydrate-containing antibiotic )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
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ChEBI Ontology
Outgoing 13-deoxydaunorubicin (CHEBI:31057) has parent hydride tetracene (CHEBI:32600)
13-deoxydaunorubicin (CHEBI:31057) is a p-quinones (CHEBI:25830)
13-deoxydaunorubicin (CHEBI:31057) is a aminoglycoside antibiotic (CHEBI:22507)
13-deoxydaunorubicin (CHEBI:31057) is a anthracycline (CHEBI:48120)
13-deoxydaunorubicin (CHEBI:31057) is a deoxy hexoside (CHEBI:35315)
13-deoxydaunorubicin (CHEBI:31057) is a monosaccharide derivative (CHEBI:63367)
13-deoxydaunorubicin (CHEBI:31057) is conjugate acid of 13-deoxydaunorubicin(1+) (CHEBI:75297)
Incoming 13-deoxydaunorubicin(1+) (CHEBI:75297) is conjugate base of 13-deoxydaunorubicin (CHEBI:31057)
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-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonym Source
Feudomycin A KEGG COMPOUND
Manual Xrefs Databases
C00018343 KNApSAcK
C12429 KEGG COMPOUND
LMPK13050003 LIPID MAPS
RU2233165 Patent
US2006100421 Patent
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Registry Numbers Types Sources
79466-09-4 CAS Registry Number ChemIDplus
9029983 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
7328065 PubMed citation Europe PMC
9098063 PubMed citation Europe PMC
9864343 PubMed citation Europe PMC
Last Modified
06 June 2016