4-O-methylrhodomycin D (CHEBI:77179)

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CHEBI:77179 - 4-O-methylrhodomycin D

ChEBI ID	CHEBI:77179
ChEBI Name	4-O-methylrhodomycin D
Stars
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.
Last Modified	3 March 2015
Submitter	Steve
Downloads	Molfile

Formula	C29H33NO11
Net Charge	0
Average Mass	571.579
Monoisotopic Mass	571.20536
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(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(OC)c1C3=O
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

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.

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

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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	Source
7-O-daunosaminyl-4-O-methyl-ε-rhodomycinone	ChEBI
4-O-methylrhodomycinone D	MetaCyc

Manual Xrefs	Databases
CPD-15783	MetaCyc

Registry Numbers	Sources
Reaxys:6949593	Reaxys