13-deoxydaunorubicin (CHEBI:31057)

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CHEBI:31057 - 13-deoxydaunorubicin

ChEBI ID	CHEBI:31057
ChEBI Name	13-deoxydaunorubicin
Stars
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.
Last Modified	6 June 2016
Downloads	Molfile

Formula	C27H31NO9
Net Charge	0
Average Mass	513.543
Monoisotopic Mass	513.19988
SMILES	CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
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

Roles Classification

Biological Roles:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	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 base of 13-deoxydaunorubicin(1+) (CHEBI:75297)
Incoming Relation(s)
Incoming Relation(s)	13-deoxydaunorubicin(1+) (CHEBI:75297) is conjugate acid 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
C12429	KEGG COMPOUND
LMPK13050003	LIPID MAPS
US2006100421	Patent
RU2233165	Patent
C00018343	KNApSAcK

Registry Numbers	Sources
Reaxys:9029983	Reaxys
CAS:79466-09-4	KEGG COMPOUND
CAS:79466-09-4	ChemIDplus

Citations