CHEBI:77179 - 4-O-methylrhodomycin D

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ChEBI Name 4-O-methylrhodomycin D
ChEBI ID CHEBI:77179
ChEBI ASCII Name 4-O-methylrhodomycin D
Definition An anthracycline that is aklavinone having a 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl residue and a methyl group attached as positions 4 and 7 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H33NO11
Net Charge 0
Average Mass 571.57240
Monoisotopic Mass 571.20536
InChI InChI=1S/C29H33NO11/c1-5-29(37)10-15(41-16-9-13(30)23(31)11(2)40-16)18-19(22(29)28(36)39-4)27(35)20-21(26(18)34)25(33)17-12(24(20)32)7-6-8-14(17)38-3/h6-8,11,13,15-16,22-23,31,34-35,37H,5,9-10,30H2,1-4H3/t11-,13-,15-,16-,22-,23+,29+/m0/s1
InChIKey KPBSBYSJFXROOJ-FUXNZPHBSA-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)c2[C@H]1C(=O)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via anthracycline antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-O-methylrhodomycin D (CHEBI:77179) has functional parent aklavinone (CHEBI:31181)
4-O-methylrhodomycin D (CHEBI:77179) has role metabolite (CHEBI:25212)
4-O-methylrhodomycin D (CHEBI:77179) is a acenoquinone (CHEBI:51285)
4-O-methylrhodomycin D (CHEBI:77179) is a aminoglycoside (CHEBI:47779)
4-O-methylrhodomycin D (CHEBI:77179) is a anthracycline antibiotic (CHEBI:49322)
4-O-methylrhodomycin D (CHEBI:77179) is a aromatic ether (CHEBI:35618)
4-O-methylrhodomycin D (CHEBI:77179) is a deoxy hexoside (CHEBI:35315)
4-O-methylrhodomycin D (CHEBI:77179) is a methyl ester (CHEBI:25248)
4-O-methylrhodomycin D (CHEBI:77179) is a monosaccharide derivative (CHEBI:63367)
4-O-methylrhodomycin D (CHEBI:77179) is conjugate base of 4-O-methylrhodomycin D(1+) (CHEBI:77074)
Incoming 4-O-methylrhodomycin D(1+) (CHEBI:77074) is conjugate acid of 4-O-methylrhodomycin D (CHEBI:77179)
IUPAC Name
methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Synonyms Sources
4-O-methylrhodomycinone D MetaCyc
7-O-daunosaminyl-4-O-methyl-ε-rhodomycinone ChEBI
Manual Xref Database
CPD-15783 MetaCyc
View more database links
Registry Number Type Source
6949593 Reaxys Registry Number Reaxys
Last Modified
03 March 2015